data_2eee_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 2eee _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 145' ' ' THR . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 115' ' ' PRO . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 77' ' ' TYR . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CE ' ' HB3' ' A' ' 58' ' ' GLN . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.498 ' CE2' HD12 ' A' ' 55' ' ' LEU . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.467 ' CB ' HD12 ' A' ' 41' ' ' ILE . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.469 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.47 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.455 ' CG2' HG23 ' A' ' 14' ' ' VAL . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.411 ' CE1' HG21 ' A' ' 145' ' ' THR . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 147' ' ' TYR . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 45' ' ' PHE . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 27' ' ' LEU . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' CE1' ' A' ' 77' ' ' TYR . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 66' ' ' ALA . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.404 ' N ' HG23 ' A' ' 65' ' ' VAL . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.49 HD13 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 75' ' ' ILE . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' CYS . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' MET . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.454 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 143' ' ' LYS . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 145' ' ' THR . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 147' ' ' TYR . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 145' ' ' THR . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.424 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 66' ' ' ALA . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 65' ' ' VAL . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' LYS . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 111' ' ' ASP . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.484 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.417 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.499 ' CZ ' HD12 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.417 ' C ' HG23 ' A' ' 140' ' ' THR . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 139' ' ' ALA . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.96 0.41 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 147' ' ' TYR . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 52' ' ' VAL . 7.3 tp-100 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 53' ' ' GLN . 16.7 m-80 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG22 ' CE1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.46 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' SER . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.578 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 5.3 m-80 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.402 HD11 ' CB ' ' A' ' 104' ' ' CYS . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.456 ' CD1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.881 0.372 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 15' ' ' LYS . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' HG11 ' A' ' 14' ' ' VAL . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.41 ' CG1' ' NZ ' ' A' ' 47' ' ' LYS . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLY . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.463 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.463 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.423 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HD3' ' NZ ' ' A' ' 81' ' ' LYS . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' SER . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.455 HD22 ' CE ' ' A' ' 114' ' ' MET . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 112' ' ' LEU . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 19' ' ' PHE . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 18' ' ' LEU . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.425 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 68' ' ' LEU . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 67' ' ' VAL . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CD1' HD23 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' CYS . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.418 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.535 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 45.4 t-80 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 46.2 m-80 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 104' ' ' CYS . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 147' ' ' TYR . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 145' ' ' THR . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 19' ' ' PHE . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.419 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 137' ' ' PHE . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.401 ' CE ' HD21 ' A' ' 112' ' ' LEU . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CZ ' HG22 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 129' ' ' VAL . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 143' ' ' LYS . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 142' ' ' ILE . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 145' ' ' THR . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.45 ' N ' HG22 ' A' ' 144' ' ' ILE . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.462 HG22 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' A' ' 22' ' ' PRO . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CD2' HG22 ' A' ' 31' ' ' ILE . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 29' ' ' HIS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.427 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CD2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' HG22 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 99' ' ' ALA . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG1' ' CE1' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.634 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 112' ' ' LEU . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 75' ' ' ILE . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.412 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.1 t60 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 76' ' ' TYR . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.404 ' C ' HG23 ' A' ' 140' ' ' THR . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 139' ' ' ALA . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 143' ' ' LYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 142' ' ' ILE . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 147' ' ' TYR . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.52 ' CE1' HG22 ' A' ' 145' ' ' THR . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.844 0.354 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CD2' HG22 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' LYS . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HB2' ' NE2' ' A' ' 58' ' ' GLN . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.458 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.577 ' HH ' ' ND2' ' A' ' 128' ' ' ASN . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' SER . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 107' ' ' ASN . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.419 HD22 ' CE1' ' A' ' 103' ' ' HIS . 5.0 m-80 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . 0.577 ' ND2' ' HH ' ' A' ' 90' ' ' TYR . 71.7 m-80 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.435 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 144' ' ' ILE . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.413 HD11 ' CG2' ' A' ' 133' ' ' ILE . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 77' ' ' TYR . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.467 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 75' ' ' ILE . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' GLN . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG3' ' CG ' ' A' ' 76' ' ' TYR . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.443 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 27' ' ' LEU . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 19' ' ' PHE . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.404 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ALA . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.442 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 110' ' ' THR . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.436 ' N ' HG12 ' A' ' 109' ' ' VAL . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.439 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD13 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 145' ' ' THR . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.482 ' N ' HG23 ' A' ' 144' ' ' ILE . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 27' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 19' ' ' PHE . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ALA . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 99' ' ' ALA . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 77' ' ' TYR . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 75' ' ' ILE . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.445 ' HG3' ' CG ' ' A' ' 76' ' ' TYR . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.527 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.458 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.453 ' CZ ' HD12 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.453 HD12 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.513 HG22 ' CE1' ' A' ' 147' ' ' TYR . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.513 ' CE1' HG22 ' A' ' 145' ' ' THR . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' PHE . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.409 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.424 ' CD2' ' HE1' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.424 ' HE1' ' CD2' ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.41 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.41 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 35.4 m-80 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.452 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 17.9 t-80 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.449 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' ASP . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 HD22 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CE ' HD22 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD21 ' CE1' ' A' ' 77' ' ' TYR . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.418 ' C ' ' HG2' ' A' ' 61' ' ' LYS . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' GLY . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.512 ' CD2' HG23 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE1' HD21 ' A' ' 55' ' ' LEU . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' SER . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.469 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 145' ' ' THR . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 144' ' ' ILE . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 145' ' ' THR . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 12' ' ' THR . 95.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 15' ' ' LYS . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 14' ' ' VAL . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 27' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ALA . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 53' ' ' GLN . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 52' ' ' VAL . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.526 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 104' ' ' CYS . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' PHE . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' CA ' ' A' ' 50' ' ' GLY . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' GLY . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 77' ' ' TYR . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 99' ' ' ALA . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.424 HG22 ' ND1' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.526 HG22 ' CE1' ' A' ' 77' ' ' TYR . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.415 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.526 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.417 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.1 t60 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 76' ' ' TYR . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.415 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.569 HD13 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 145' ' ' THR . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 25' ' ' ASP . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 19' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 47' ' ' LYS . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 77' ' ' TYR . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 68' ' ' LEU . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.476 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' HD22 ' A' ' 55' ' ' LEU . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.401 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.422 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 14' ' ' VAL . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ILE . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.494 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' HD22 ' A' ' 107' ' ' ASN . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 HD22 ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.0 pt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.416 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 145' ' ' THR . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.471 ' N ' HG21 ' A' ' 144' ' ' ILE . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 18' ' ' LEU . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 19' ' ' PHE . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 31.3 t-80 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' VAL . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' SER . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.0 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.496 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.407 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 138' ' ' GLU . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.516 HG22 ' CE1' ' A' ' 147' ' ' TYR . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . 0.516 ' CE1' HG22 ' A' ' 145' ' ' THR . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 146' ' ' VAL . 34.3 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.526 HD11 ' CE2' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 99' ' ' ALA . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.418 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG23 ' CE1' ' A' ' 77' ' ' TYR . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.533 ' OH ' ' CZ ' ' A' ' 49' ' ' PHE . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.419 ' C ' HG13 ' A' ' 65' ' ' VAL . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.575 ' CE1' HG11 ' A' ' 67' ' ' VAL . 2.1 t60 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' MET . . . . . 0.44 ' SD ' ' CG2' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.744 0.307 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.44 ' CG2' ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 11' ' ' ILE . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.82 131.37 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -77.11 112.4 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.28 97.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -129.29 108.1 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -122.23 155.8 35.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.47 167.02 4.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.27 -141.12 22.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m 41.76 38.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -68.55 -2.53 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.32 124.33 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 145' ' ' THR . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.443 ' N ' HG13 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.565 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' C ' ' O ' ' A' ' 34' ' ' ASP . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 115' ' ' PRO . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.565 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 77' ' ' TYR . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' CE ' ' HB3' ' A' ' 58' ' ' GLN . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.498 ' CE2' HD12 ' A' ' 55' ' ' LEU . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.413 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.55 ' CE1' HD21 ' A' ' 124' ' ' LEU . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.467 ' CB ' HD12 ' A' ' 41' ' ' ILE . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -113.91 134.31 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.26 58.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.55 155.97 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.71 147.03 5.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -87.22 -38.08 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.67 -40.42 11.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -44.93 -71.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.55 HD21 ' CE1' ' A' ' 90' ' ' TYR . 83.3 mt -134.23 177.55 7.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -146.2 116.61 7.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.518 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.469 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.47 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.455 ' CG2' HG23 ' A' ' 14' ' ' VAL . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.411 ' CE1' HG21 ' A' ' 145' ' ' THR . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 40.36 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -90.26 102.24 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -59.18 115.84 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -110.18 126.51 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 96.0 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.01 -71.15 1.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -63.16 174.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -71.91 -57.6 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.58 124.34 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 147' ' ' TYR . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.515 HD11 ' CE2' ' A' ' 45' ' ' PHE . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 43' ' ' VAL . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.515 ' CE2' HD11 ' A' ' 27' ' ' LEU . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.56 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.49 ' CE2' HD13 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 HD23 ' CE1' ' A' ' 77' ' ' TYR . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 66' ' ' ALA . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.404 ' N ' HG23 ' A' ' 65' ' ' VAL . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.49 HD13 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.478 ' CE1' HG21 ' A' ' 75' ' ' ILE . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 124' ' ' LEU . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' GLN . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' CYS . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt -116.83 106.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.26 -53.07 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.8 p -89.17 136.48 33.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.18 -119.33 2.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.43 147.23 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -83.98 32.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 90' ' ' TYR . 95.7 mt -87.84 178.41 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -132.28 117.61 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 132' ' ' MET . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.454 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 143' ' ' LYS . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 145' ' ' THR . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 147' ' ' TYR . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.469 ' CE1' HG22 ' A' ' 145' ' ' THR . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -154.39 169.91 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -146.74 173.07 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.59 81.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -71.21 114.87 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.31 172.41 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 105.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -132.36 4.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -51.11 156.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.26 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -98.64 126.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.5 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.5 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.424 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 66' ' ' ALA . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.463 ' N ' HG23 ' A' ' 65' ' ' VAL . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.497 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.474 ' O ' ' C ' ' A' ' 71' ' ' ASP . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.497 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.457 ' CD1' ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.424 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CE1' HD21 ' A' ' 124' ' ' LEU . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 106' ' ' LYS . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' CG1' ' O ' ' A' ' 111' ' ' ASP . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.0 135.88 61.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.35 40.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 7.3 t -39.91 106.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.8 123.24 2.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.78 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.35 -46.15 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.88 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 90' ' ' TYR . 44.4 mt -126.28 170.46 11.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 -144.14 124.6 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.484 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.484 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.417 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.499 ' CZ ' HD12 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.417 ' C ' HG23 ' A' ' 140' ' ' THR . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 139' ' ' ALA . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.499 HD12 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -124.62 106.15 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.03 104.57 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 128.88 6.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.06 107.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -120.45 166.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.38 -47.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.88 -73.22 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -47.23 168.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.94 -37.98 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -102.79 133.7 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' ' 147' ' ' TYR . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CE2' HD11 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD11 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.669 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' HG23 ' A' ' 52' ' ' VAL . 7.3 tp-100 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 53' ' ' GLN . 16.7 m-80 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG22 ' CE1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.46 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.46 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.669 ' CD1' ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.554 ' CE1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' CE1' HD23 ' A' ' 124' ' ' LEU . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 102' ' ' SER . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.578 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 5.3 m-80 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -125.19 145.77 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.07 54.85 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 17.3 p -53.32 137.73 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' ARG . . . 98.35 75.59 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -38.94 -51.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.13 -29.35 66.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLY . 23.5 mmm180 -75.76 -74.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.559 HD23 ' CE1' ' A' ' 90' ' ' TYR . 14.4 mt -111.36 151.96 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -130.32 122.79 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.402 HD11 ' CB ' ' A' ' 104' ' ' CYS . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.456 ' CD1' HD12 ' A' ' 18' ' ' LEU . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -137.26 124.68 22.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 p -123.5 157.24 34.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.97 -128.81 2.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 55.99 42.6 28.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -121.94 122.36 39.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.38 -134.56 2.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.48 -145.81 17.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ARG . 37.2 m -75.08 133.26 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' SER . 23.7 mmt85 -37.9 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -75.52 126.16 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 15' ' ' LYS . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' HG11 ' A' ' 14' ' ' VAL . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.513 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.41 ' CG1' ' NZ ' ' A' ' 47' ' ' LYS . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 50' ' ' GLY . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' HB2' ' CD1' ' A' ' 79' ' ' ILE . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.463 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.463 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 60' ' ' LYS . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.423 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HD3' ' NZ ' ' A' ' 81' ' ' LYS . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' SER . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.415 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.455 HD22 ' CE ' ' A' ' 114' ' ' MET . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.455 ' CE ' HD22 ' A' ' 112' ' ' LEU . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt -118.68 142.34 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.66 48.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.2 t -44.92 151.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.51 102.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.417 ' C ' ' CD1' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.58 -46.1 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ARG . 9.1 t0 -91.09 -56.22 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -34.02 -71.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 58.0 mt -115.53 162.63 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -142.02 134.31 27.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -44.66 154.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -66.94 105.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 118.27 2.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -115.77 83.88 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m -165.72 129.49 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.61 -39.82 0.17 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.9 50.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -44.82 126.02 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -40.47 -43.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.94 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' A' ' 19' ' ' PHE . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' A' ' 18' ' ' LEU . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.473 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.425 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.474 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 48' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD23 ' CD1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 68' ' ' LEU . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 67' ' ' VAL . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CD1' HD23 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.421 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' CYS . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.418 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.535 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 45.4 t-80 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 46.2 m-80 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.418 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt -114.9 135.16 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -169.97 -42.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m 57.16 47.56 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.69 149.29 5.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.81 -54.35 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.7 24.72 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.79 -74.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.2 177.67 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -129.59 122.25 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.45 HD12 ' CB ' ' A' ' 104' ' ' CYS . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.519 HG21 ' CE1' ' A' ' 147' ' ' TYR . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.519 ' CE1' HG21 ' A' ' 145' ' ' THR . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.64 137.92 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -55.67 141.03 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.21 170.61 15.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -131.6 120.54 22.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -123.04 92.72 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.41 -55.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.13 -126.62 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -44.11 138.59 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 -40.18 -45.41 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -78.36 126.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 19' ' ' PHE . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.402 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.402 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.487 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.487 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.43 ' CE1' HD21 ' A' ' 124' ' ' LEU . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 137' ' ' PHE . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.401 ' CE ' HD21 ' A' ' 112' ' ' LEU . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' CZ ' HG22 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt -123.71 147.19 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 43.44 61.85 2.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.81 -46.43 7.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.46 114.18 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.458 ' HG ' ' NE2' ' A' ' 125' ' ' GLN . 5.3 mp -42.51 -45.68 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -39.67 -49.78 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -91.83 -73.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.43 HD21 ' CE1' ' A' ' 90' ' ' TYR . 62.0 mt -138.45 -178.05 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.458 ' NE2' ' HG ' ' A' ' 121' ' ' LEU . 38.9 mt-30 -135.7 124.96 24.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.422 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 129' ' ' VAL . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.429 ' CG2' ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.461 HG21 ' N ' ' A' ' 143' ' ' LYS . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.461 ' N ' HG21 ' A' ' 142' ' ' ILE . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.45 HG22 ' N ' ' A' ' 145' ' ' THR . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.45 ' N ' HG22 ' A' ' 144' ' ' ILE . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.462 HG22 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m 54.02 41.7 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.06 158.72 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.12 -173.97 19.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -84.69 107.62 16.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 100.76 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 -170.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.36 -137.85 22.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.1 m -62.9 162.14 11.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -53.23 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -85.55 122.52 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' CD ' ' A' ' 22' ' ' PRO . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.578 ' CD1' ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.556 ' CD2' HG22 ' A' ' 31' ' ' ILE . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.556 HG22 ' CD2' ' A' ' 29' ' ' HIS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.427 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.634 ' CD2' ' CD1' ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.433 ' N ' HG22 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.412 HG12 ' C ' ' A' ' 99' ' ' ALA . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.417 ' CG1' ' CE1' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.634 ' CD1' ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 112' ' ' LEU . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 75' ' ' ILE . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.558 ' CE1' HD22 ' A' ' 124' ' ' LEU . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.465 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.1 t60 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.431 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 76' ' ' TYR . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt -126.87 149.03 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 126' ' ' TRP . . . 72.02 61.25 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -167.46 143.51 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.76 -100.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.45 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.15 168.98 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -86.65 -52.46 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.558 HD22 ' CE1' ' A' ' 90' ' ' TYR . 88.8 mt -45.8 170.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -128.01 127.58 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 118' ' ' GLY . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.422 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.404 ' C ' HG23 ' A' ' 140' ' ' THR . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' THR . . . . . 0.404 HG23 ' C ' ' A' ' 139' ' ' ALA . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 143' ' ' LYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.426 ' N ' HG21 ' A' ' 142' ' ' ILE . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.52 HG22 ' CE1' ' A' ' 147' ' ' TYR . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.52 ' CE1' HG22 ' A' ' 145' ' ' THR . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -113.11 -43.86 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -79.03 94.44 5.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 -82.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -84.42 149.63 25.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.17 130.29 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.22 -85.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.43 -177.53 6.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 p -91.89 125.93 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -43.59 -41.84 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -85.44 132.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CD2' HG22 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' LYS . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.458 ' CZ ' HD13 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HB2' ' NE2' ' A' ' 58' ' ' GLN . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.462 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.528 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.458 HD13 ' CZ ' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.577 ' HH ' ' ND2' ' A' ' 128' ' ' ASN . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' SER . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.419 ' CE1' HD22 ' A' ' 107' ' ' ASN . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.419 HD22 ' CE1' ' A' ' 103' ' ' HIS . 5.0 m-80 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt -121.08 148.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 63.52 59.58 8.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.537 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.3 p -72.2 177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.62 -45.09 30.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 tt -40.33 -62.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.18 156.54 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -54.18 -44.86 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.463 HD21 ' CE1' ' A' ' 90' ' ' TYR . 32.6 mt -61.08 170.29 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -141.12 123.14 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . 0.577 ' ND2' ' HH ' ' A' ' 90' ' ' TYR . 71.7 m-80 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.435 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 144' ' ' ILE . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.413 HD11 ' CG2' ' A' ' 133' ' ' ILE . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -85.74 80.89 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -48.26 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 -153.72 49.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -81.72 135.32 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -99.04 99.09 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 60.26 8.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.02 -55.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ARG . 23.5 p -129.82 122.16 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' SER . 56.2 mmt-85 -34.81 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -77.21 129.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD11 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.45 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CZ ' HD11 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.41 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG23 ' CE1' ' A' ' 77' ' ' TYR . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.467 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.423 ' CE1' HG23 ' A' ' 75' ' ' ILE . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 124' ' ' LEU . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 94' ' ' GLN . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG3' ' CG ' ' A' ' 76' ' ' TYR . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.434 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.45 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt -107.24 115.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 128.11 -120.49 3.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 118' ' ' GLY . 28.7 p 31.91 43.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.5 -177.5 14.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -56.27 -23.23 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 122' ' ' ASP . 19.9 p-10 -49.16 171.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.46 31.04 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 90' ' ' TYR . 55.6 mt -106.65 171.81 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -149.67 127.29 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.441 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.443 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -105.6 102.33 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -168.6 167.21 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 104.9 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.27 109.45 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -171.92 177.45 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 176.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.44 -98.39 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -106.62 138.12 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -44.08 18.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.44 133.41 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD2' ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 27' ' ' LEU . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 19' ' ' PHE . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.404 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.404 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 42' ' ' ALA . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.561 HD11 ' CE2' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 55' ' ' LEU . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.442 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 110' ' ' THR . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.436 ' N ' HG12 ' A' ' 109' ' ' VAL . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.432 ' HD3' ' CD2' ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt -128.69 124.2 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.78 86.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -165.14 152.11 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 52.94 -96.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.66 -54.69 38.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.89 162.33 2.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -83.36 -48.83 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 75.4 mt -48.67 172.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -134.82 121.43 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.439 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.439 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD13 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 145' ' ' THR . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.482 ' N ' HG23 ' A' ' 144' ' ' ILE . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -153.99 116.1 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -110.16 101.86 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -65.42 2.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -165.87 166.67 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -86.43 85.06 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.76 -123.14 30.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.7 77.09 2.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.427 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -131.61 170.79 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -108.06 -42.46 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.62 130.43 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.495 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' A' ' 27' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' A' ' 19' ' ' PHE . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' ALA . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 HG12 ' C ' ' A' ' 99' ' ' ALA . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG21 ' CE2' ' A' ' 77' ' ' TYR . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.445 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 75' ' ' ILE . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.445 ' HG3' ' CG ' ' A' ' 76' ' ' TYR . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HD3' ' CG1' ' A' ' 136' ' ' VAL . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt -129.11 137.18 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.95 48.34 54.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLY . 8.8 t -61.16 166.77 3.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' CYS . . . -37.02 -52.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.6 mp -45.46 -46.52 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -67.09 147.03 53.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -46.65 -54.83 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.525 HD23 ' CE1' ' A' ' 90' ' ' TYR . 21.6 mt -58.18 170.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 -136.12 125.18 24.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.527 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.458 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.453 ' CZ ' HD12 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.453 HD12 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.513 HG22 ' CE1' ' A' ' 147' ' ' TYR . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.513 ' CE1' HG22 ' A' ' 145' ' ' THR . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -155.18 137.51 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.374 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -104.61 -60.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 121.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -170.64 117.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -139.6 155.99 47.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.65 166.06 38.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.74 -155.36 21.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -58.68 178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -65.15 -56.1 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt -105.01 131.52 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.489 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 45' ' ' PHE . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.409 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' CD2' ' HE1' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.424 ' HE1' ' CD2' ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.439 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.41 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 35.4 m-80 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt -127.31 142.42 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.93 50.41 58.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.2 t -142.34 130.84 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.44 -130.12 8.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.68 -41.88 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -44.14 139.73 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -51.94 -49.41 63.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 13.3 mt -55.19 171.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -149.53 138.25 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.452 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.403 ' CE2' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.403 HD11 ' CE2' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -156.72 166.17 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -163.74 171.1 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -116.74 -49.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.9 m 37.15 46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -87.7 122.93 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.96 171.83 23.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.2 -120.68 5.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 159.47 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.86 -41.3 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -93.65 132.91 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.459 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.503 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.503 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.449 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 17.9 t-80 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' ASP . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 HD22 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CE ' HD22 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CZ ' HD12 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD21 ' CE1' ' A' ' 77' ' ' TYR . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' C ' ' HG2' ' A' ' 61' ' ' LYS . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.512 HG23 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' GLY . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.565 HD12 ' CZ ' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.512 ' CD2' HG23 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.485 ' CE1' HD21 ' A' ' 55' ' ' LEU . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.483 ' CE1' HD23 ' A' ' 124' ' ' LEU . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.34 107.68 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.61 42.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.5 -45.92 6.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.32 109.91 3.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.84 -50.6 73.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.33 -52.86 7.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -41.23 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.483 HD23 ' CE1' ' A' ' 90' ' ' TYR . 72.2 mt -126.22 169.68 12.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -147.03 120.29 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 130' ' ' SER . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.469 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.463 HG23 ' N ' ' A' ' 145' ' ' THR . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.463 ' N ' HG23 ' A' ' 144' ' ' ILE . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 145' ' ' THR . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -148.14 165.09 31.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -103.71 142.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.9 117.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -100.21 116.01 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -112.54 179.43 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -100.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 42.14 -154.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -85.55 152.25 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -49.98 -43.95 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.416 HG23 ' N ' ' A' ' 12' ' ' THR . 95.2 mt -82.79 133.32 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 15' ' ' LYS . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 14' ' ' VAL . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CD1' HD12 ' A' ' 27' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.44 ' HB3' ' CB ' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' C ' ' A' ' 42' ' ' ALA . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.424 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 53' ' ' GLN . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 52' ' ' VAL . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.526 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.526 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.428 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.428 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.47 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.45 ' CE1' HD21 ' A' ' 124' ' ' LEU . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 104' ' ' CYS . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt -120.57 117.2 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.85 65.66 1.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -151.05 128.47 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.66 -108.96 3.62 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.03 -56.49 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -47.17 127.99 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -50.06 -46.24 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.45 HD21 ' CE1' ' A' ' 90' ' ' TYR . 28.6 mt -50.66 168.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -138.37 127.85 24.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -69.33 164.78 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -80.45 108.77 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.37 44.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -87.02 149.57 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -117.44 -47.69 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 46.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.4 131.16 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 m -57.88 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.4 -17.99 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt -59.38 130.03 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.501 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 30' ' ' CYS . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.401 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 45' ' ' PHE . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HA ' ' CA ' ' A' ' 50' ' ' GLY . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.426 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' GLY . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.444 HD23 ' CD1' ' A' ' 77' ' ' TYR . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 99' ' ' ALA . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.424 HG22 ' ND1' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.526 HG22 ' CE1' ' A' ' 77' ' ' TYR . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.415 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.526 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.543 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.543 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.425 ' CE1' HD21 ' A' ' 124' ' ' LEU . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.417 ' C ' HG12 ' A' ' 65' ' ' VAL . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 102' ' ' SER . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.1 t60 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 76' ' ' TYR . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt -122.2 147.55 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 145.49 45.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' GLY . 27.2 p -37.82 127.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . 84.94 75.38 1.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' GLY . 6.9 tp -38.31 -42.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.53 -51.05 25.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -50.65 -69.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.425 HD21 ' CE1' ' A' ' 90' ' ' TYR . 49.9 mt -110.32 169.63 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -140.23 134.68 31.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.415 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.569 ' CE2' HD13 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.569 HD13 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -134.85 177.86 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -141.65 165.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -122.25 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -115.74 42.27 2.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -162.14 107.98 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 -70.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.97 70.15 1.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 164.8 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -112.44 -43.75 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -48.84 134.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.456 HG21 ' CG2' ' A' ' 145' ' ' THR . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.572 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.572 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.622 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.622 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 25' ' ' ASP . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.473 ' N ' HG23 ' A' ' 24' ' ' THR . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD12 ' CE1' ' A' ' 19' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.431 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HD2' ' CG ' ' A' ' 47' ' ' LYS . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.457 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 77' ' ' TYR . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 68' ' ' LEU . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.476 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.476 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' HD22 ' A' ' 55' ' ' LEU . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.426 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt -122.99 145.7 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 44.93 79.13 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -134.82 -65.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . -101.44 -88.48 2.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' GLY . 12.9 mt -34.93 -63.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.82 155.8 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.38 -39.18 65.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.3 178.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -133.9 133.32 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.401 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.422 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.456 ' CG2' HG21 ' A' ' 14' ' ' VAL . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -127.54 151.71 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -65.73 -51.54 58.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.92 112.53 1.08 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -93.8 136.3 34.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -96.11 159.31 15.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 124.01 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.64 -122.96 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -69.75 156.8 38.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -69.16 -49.51 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt -87.83 129.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CE1' HD11 ' A' ' 27' ' ' LEU . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.613 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' N ' ' O ' ' A' ' 41' ' ' ILE . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 ' CG1' ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.494 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.494 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.627 ' CD1' ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' CE1' HD22 ' A' ' 107' ' ' ASN . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 HD22 ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.0 pt -115.82 140.44 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.57 36.95 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.31 173.02 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.17 -57.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 tp -51.11 -40.01 57.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.335 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.37 -36.87 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 59.63 31.29 20.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 68.8 mt -116.47 162.51 17.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -111.32 120.55 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.416 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 145' ' ' THR . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.471 ' N ' HG21 ' A' ' 144' ' ' ILE . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -174.45 158.58 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -64.44 105.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 83.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -62.25 112.84 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.63 143.79 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 166.79 35.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -59.83 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' ARG . 58.7 m -86.63 121.87 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 3.3 tpt180 -37.52 -48.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt -60.81 131.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' O ' ' A' ' 18' ' ' LEU . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.554 HD13 ' CD1' ' A' ' 19' ' ' PHE . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 42' ' ' ALA . 31.3 t-80 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' H ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 43' ' ' VAL . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.567 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.51 HD23 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG23 ' CZ ' ' A' ' 77' ' ' TYR . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.51 ' CE1' HD23 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 124' ' ' LEU . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 102' ' ' SER . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.0 pt -118.58 135.17 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.6 47.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -40.82 129.25 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.26 117.98 3.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.48 -53.84 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER -86.12 -51.66 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 122' ' ' ASP . 37.8 mmt-85 -34.98 -61.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 90' ' ' TYR . 34.1 mt -122.65 170.64 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 -147.55 122.22 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . 0.496 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.496 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.407 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.52 ' CE1' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.427 ' HB1' ' CD ' ' A' ' 138' ' ' GLU . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.52 HD11 ' CE1' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.516 HG22 ' CE1' ' A' ' 147' ' ' TYR . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . 0.516 ' CE1' HG22 ' A' ' 145' ' ' THR . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -116.1 166.22 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -99.82 -52.39 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.56 129.6 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -88.34 80.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -174.94 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -133.53 74.57 0.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.81 -74.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -82.17 174.0 11.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -80.69 -42.06 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 146' ' ' VAL . 34.3 mt -82.49 139.13 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.526 HD11 ' CE2' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 HG13 ' C ' ' A' ' 99' ' ' ALA . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.418 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.418 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG23 ' CE1' ' A' ' 77' ' ' TYR . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.533 ' OH ' ' CZ ' ' A' ' 49' ' ' PHE . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.419 ' C ' HG13 ' A' ' 65' ' ' VAL . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.575 ' CE1' HG11 ' A' ' 67' ' ' VAL . 2.1 t60 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' MET . . . . . 0.44 ' SD ' ' CG2' ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt -123.88 113.99 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 137.88 43.92 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.6 t -148.09 163.2 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.77 -123.24 24.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.12 -54.61 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -38.48 -45.81 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 58.57 27.45 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.0 mt -100.22 171.24 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -114.16 118.94 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.44 ' CG2' ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 11' ' ' ILE . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 15' ' ' LYS . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.747 HD21 ' HD3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HD11 ' A' ' 56' ' ' LEU . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 44' ' ' LEU . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HE3' ' A' ' 47' ' ' LYS . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 41' ' ' ILE . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 43' ' ' VAL . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' SG ' ' A' ' 35' ' ' CYS . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' GLN . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 136' ' ' VAL . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.609 ' HA ' HG11 ' A' ' 65' ' ' VAL . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.786 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' OD1' ' A' ' 107' ' ' ASN . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.747 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' A' ' 148' ' ' THR . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 14.9 m120 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.728 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 132' ' ' MET . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 116' ' ' ARG . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 44' ' ' LEU . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 HG13 ' A' ' 41' ' ' ILE . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' VAL . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' HD11 ' A' ' 68' ' ' LEU . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD22 ' OG ' ' A' ' 96' ' ' SER . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 HG13 ' A' ' 129' ' ' VAL . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.551 ' OG ' HD22 ' A' ' 78' ' ' LEU . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.498 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 105' ' ' LEU . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 107' ' ' ASN . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.752 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.528 HG13 HD21 ' A' ' 93' ' ' LEU . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.48 ' HB2' HD13 ' A' ' 18' ' ' LEU . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 149' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 15' ' ' LYS . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 113' ' ' SER . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG12 ' A' ' 52' ' ' VAL . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 44' ' ' LEU . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 47' ' ' LYS . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 41' ' ' ILE . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HE2' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 35' ' ' CYS . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.533 ' HB3' HD11 ' A' ' 68' ' ' LEU . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HG3' HD11 ' A' ' 75' ' ' ILE . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 93' ' ' LEU . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HA ' HG22 ' A' ' 80' ' ' THR . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.634 ' HA ' HG11 ' A' ' 65' ' ' VAL . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.762 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.551 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 27' ' ' LEU . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.541 ' HE ' HG22 ' A' ' 148' ' ' THR . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 133' ' ' ILE . 22.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 117' ' ' ILE . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 132' ' ' MET . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.541 HG22 ' HE ' ' A' ' 116' ' ' ARG . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.96 0.41 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' ILE . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.859 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 52' ' ' VAL . 30.9 tp60 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.696 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG22 ' CD1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB3' HG13 ' A' ' 67' ' ' VAL . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.696 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 105' ' ' LEU . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.428 ' OD1' ' CE1' ' A' ' 103' ' ' HIS . 9.6 m120 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' HD23 ' A' ' 27' ' ' LEU . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 112' ' ' LEU . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' MET . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.881 0.372 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 18' ' ' LEU . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 112' ' ' LEU . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 75' ' ' ILE . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.578 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 38' ' ' GLY . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 68' ' ' LEU . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' VAL . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.606 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 27' ' ' LEU . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HD3' ' NZ ' ' A' ' 81' ' ' LYS . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 95' ' ' LYS . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 92' ' ' ASN . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.458 ' HA ' HG11 ' A' ' 65' ' ' VAL . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' O ' HD12 ' A' ' 105' ' ' LEU . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.877 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.877 HG23 ' OD1' ' A' ' 107' ' ' ASN . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.471 HG23 ' OD1' ' A' ' 111' ' ' ASP . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.471 ' OD1' HG23 ' A' ' 110' ' ' THR . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 144' ' ' ILE . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' A' ' 137' ' ' PHE . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 147' ' ' TYR . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.56 ' HB2' HD12 ' A' ' 112' ' ' LEU . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 115' ' ' PRO . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 53' ' ' GLN . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.584 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 68' ' ' LEU . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.645 ' CE1' HD21 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.716 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.807 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 26' ' ' SER . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.473 ' HG3' HD13 ' A' ' 41' ' ' ILE . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.49 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.662 ' HB2' HD13 ' A' ' 18' ' ' LEU . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 75' ' ' ILE . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 77' ' ' TYR . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 49' ' ' PHE . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 55' ' ' LEU . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.419 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.617 ' HA ' HG11 ' A' ' 65' ' ' VAL . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.4 ' O ' HG22 ' A' ' 146' ' ' VAL . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.69 ' CZ ' HG21 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.442 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 132' ' ' MET . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 114' ' ' MET . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.522 ' HB2' HD13 ' A' ' 18' ' ' LEU . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 41' ' ' ILE . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 35' ' ' CYS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' ILE . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 44' ' ' LEU . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' HA2' ' A' ' 38' ' ' GLY . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 41' ' ' ILE . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 1.009 ' CD2' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.762 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.907 HG21 ' CD2' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.502 ' HB3' HG13 ' A' ' 67' ' ' VAL . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.408 ' HG2' ' ND1' ' A' ' 86' ' ' HIS . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HG2' ' A' ' 83' ' ' ARG . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG11 ' A' ' 65' ' ' VAL . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.907 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.4 t-80 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HG3' HD13 ' A' ' 41' ' ' ILE . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.449 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 104' ' ' CYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.844 0.354 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 15' ' ' LYS . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 14' ' ' VAL . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.696 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' A' ' 78' ' ' LEU . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.659 HG22 ' HA2' ' A' ' 38' ' ' GLY . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 41' ' ' ILE . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HA ' ' HZ2' ' A' ' 48' ' ' LYS . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HZ2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.489 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' A' ' 30' ' ' CYS . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.714 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.764 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.688 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 132' ' ' MET . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 143' ' ' LYS . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 142' ' ' ILE . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 53' ' ' GLN . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 52' ' ' VAL . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD22 ' A' ' 68' ' ' LEU . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 34' ' ' ASP . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 68' ' ' LEU . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 ' HE2' ' A' ' 100' ' ' MET . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.412 ' HH ' ' N ' ' A' ' 125' ' ' GLN . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.431 HD21 HG13 ' A' ' 129' ' ' VAL . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 136' ' ' VAL . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 105' ' ' LEU . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.497 HG23 ' OD1' ' A' ' 107' ' ' ASN . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 112' ' ' LEU . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.709 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.412 ' N ' ' HH ' ' A' ' 90' ' ' TYR . 61.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.431 HG13 HD21 ' A' ' 93' ' ' LEU . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 132' ' ' MET . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 44' ' ' LEU . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 41' ' ' ILE . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 103' ' ' HIS . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.501 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HG2' HG13 ' A' ' 136' ' ' VAL . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.592 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.415 ' CE1' HG11 ' A' ' 67' ' ' VAL . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.61 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.713 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.807 ' HD2' HG22 ' A' ' 148' ' ' THR . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.456 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 98' ' ' GLU . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 137' ' ' PHE . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.807 HG22 ' HD2' ' A' ' 116' ' ' ARG . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB2' HD12 ' A' ' 112' ' ' LEU . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 44' ' ' LEU . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 41' ' ' ILE . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.573 ' N ' HG23 ' A' ' 52' ' ' VAL . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB3' HD11 ' A' ' 68' ' ' LEU . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 76' ' ' TYR . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.642 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 35' ' ' CYS . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' ILE . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.796 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 47' ' ' LYS . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.602 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.731 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 100' ' ' MET . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.731 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.653 ' HE2' HD21 ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.809 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 133' ' ' ILE . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 130' ' ' SER . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 132' ' ' MET . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 143' ' ' LYS . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 142' ' ' ILE . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 147' ' ' TYR . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 112' ' ' LEU . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 69.1 t60 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 35' ' ' CYS . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HA ' HD12 ' A' ' 31' ' ' ILE . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.625 HG13 ' HE3' ' A' ' 46' ' ' LYS . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 HD23 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' HG13 ' A' ' 43' ' ' VAL . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 53' ' ' GLN . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' N ' HG23 ' A' ' 52' ' ' VAL . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' CD1' ' HE1' ' A' ' 132' ' ' MET . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 129' ' ' VAL . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.737 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 28' ' ' ALA . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.417 ' N ' ' HH ' ' A' ' 90' ' ' TYR . 17.2 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 26.8 m120 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 93' ' ' LEU . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.54 ' HB2' HD13 ' A' ' 18' ' ' LEU . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' HE2' HD13 ' A' ' 44' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 112' ' ' LEU . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' CYS . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.499 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 44' ' ' LEU . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 41' ' ' ILE . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HB3' HD11 ' A' ' 68' ' ' LEU . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 74' ' ' TYR . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 49' ' ' PHE . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 26' ' ' SER . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 8.6 m120 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 132' ' ' MET . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 148' ' ' THR . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 146' ' ' VAL . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HH ' ' HZ2' ' A' ' 126' ' ' TRP . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB2' HD12 ' A' ' 112' ' ' LEU . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 49' ' ' PHE . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.507 HG13 ' NZ ' ' A' ' 46' ' ' LYS . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.507 ' NZ ' HG13 ' A' ' 43' ' ' VAL . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 53' ' ' GLN . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HG23 ' A' ' 52' ' ' VAL . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.807 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.883 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.85 HG21 ' CD2' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' GLU . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' HB3' HG13 ' A' ' 67' ' ' VAL . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.704 HD11 ' CE2' ' A' ' 49' ' ' PHE . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 67' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.667 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 93' ' ' LEU . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 80' ' ' THR . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 94' ' ' GLN . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.883 ' HA ' HG11 ' A' ' 65' ' ' VAL . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.85 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.5 t-80 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.747 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 26' ' ' SER . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.415 ' HZ2' ' HH ' ' A' ' 13' ' ' TYR . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.502 ' HB2' HD13 ' A' ' 18' ' ' LEU . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 147' ' ' TYR . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 22' ' ' PRO . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 45' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 35' ' ' CYS . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.921 ' HA ' HD12 ' A' ' 31' ' ' ILE . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.672 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 44' ' ' LEU . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 48' ' ' LYS . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.604 ' HE2' HD22 ' A' ' 44' ' ' LEU . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 75' ' ' ILE . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 52' ' ' VAL . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 76' ' ' TYR . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 49' ' ' PHE . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.423 ' CD1' HG22 ' A' ' 67' ' ' VAL . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.651 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.833 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.729 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 107' ' ' ASN . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.633 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.627 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 46' ' ' LYS . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 HD12 HG13 ' A' ' 41' ' ' ILE . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD1' HD11 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB3' HD11 ' A' ' 68' ' ' LEU . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.68 HD11 ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.458 HG23 ' OD1' ' A' ' 111' ' ' ASP . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 110' ' ' THR . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.466 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.66 HD11 HG11 ' A' ' 129' ' ' VAL . 33.0 pt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.66 HG11 HD11 ' A' ' 117' ' ' ILE . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 132' ' ' MET . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 147' ' ' TYR . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 112' ' ' LEU . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 81.0 t60 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.542 HG13 HD12 ' A' ' 44' ' ' LEU . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 ' HA2' ' A' ' 38' ' ' GLY . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD12 HG13 ' A' ' 41' ' ' ILE . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 66' ' ' ALA . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HB3' HG11 ' A' ' 136' ' ' VAL . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 65' ' ' VAL . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.545 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 26' ' ' SER . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 129' ' ' VAL . 27.0 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.58 HG11 HG13 ' A' ' 117' ' ' ILE . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 97' ' ' LEU . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.799 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' TYR . . . . . 0.673 ' HB2' HD13 ' A' ' 18' ' ' LEU . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 44' ' ' LEU . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 41' ' ' ILE . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.865 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 55' ' ' LEU . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.521 HD22 ' OG ' ' A' ' 96' ' ' SER . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 78' ' ' LEU . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.865 ' HA ' HG11 ' A' ' 65' ' ' VAL . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 105' ' ' LEU . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.841 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.6 t-80 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.744 0.307 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 132' ' ' MET . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.672 HG23 ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.82 131.37 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -77.11 112.4 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.28 97.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -129.29 108.1 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -122.23 155.8 35.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.47 167.02 4.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.27 -141.12 22.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m 41.76 38.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -68.55 -2.53 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.32 124.33 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 15' ' ' LYS . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.747 HD21 ' HD3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HD11 ' A' ' 56' ' ' LEU . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 44' ' ' LEU . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HE3' ' A' ' 47' ' ' LYS . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 41' ' ' ILE . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 43' ' ' VAL . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' SG ' ' A' ' 35' ' ' CYS . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CE1' HD22 ' A' ' 124' ' ' LEU . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' GLN . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 136' ' ' VAL . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.609 ' HA ' HG11 ' A' ' 65' ' ' VAL . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.786 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' OD1' ' A' ' 107' ' ' ASN . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.747 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' A' ' 148' ' ' THR . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -113.91 134.31 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.26 58.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.55 155.97 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.71 147.03 5.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.586 HD23 ' H ' ' A' ' 121' ' ' LEU . 0.1 OUTLIER -87.22 -38.08 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.67 -40.42 11.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -44.93 -71.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 90' ' ' TYR . 83.3 mt -134.23 177.55 7.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -146.2 116.61 7.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 14.9 m120 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.728 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 132' ' ' MET . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 116' ' ' ARG . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 40.36 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -90.26 102.24 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -59.18 115.84 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -110.18 126.51 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 96.0 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.01 -71.15 1.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -63.16 174.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -71.91 -57.6 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.58 124.34 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 44' ' ' LEU . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 HG13 ' A' ' 41' ' ' ILE . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' VAL . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' HD11 ' A' ' 68' ' ' LEU . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD22 ' OG ' ' A' ' 96' ' ' SER . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HB2' HD11 ' A' ' 124' ' ' LEU . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.635 ' CE1' HD22 ' A' ' 124' ' ' LEU . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 HG13 ' A' ' 129' ' ' VAL . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.551 ' OG ' HD22 ' A' ' 78' ' ' LEU . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.498 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 105' ' ' LEU . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 107' ' ' ASN . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.752 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt -116.83 106.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.26 -53.07 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.8 p -89.17 136.48 33.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.18 -119.33 2.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.43 147.23 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -83.98 32.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 90' ' ' TYR . 95.7 mt -87.84 178.41 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -132.28 117.61 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.528 HG13 HD21 ' A' ' 93' ' ' LEU . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.48 ' HB2' HD13 ' A' ' 18' ' ' LEU . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 149' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -154.39 169.91 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -146.74 173.07 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.59 81.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -71.21 114.87 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.31 172.41 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 105.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -132.36 4.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -51.11 156.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.26 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -98.64 126.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 15' ' ' LYS . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 113' ' ' SER . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG12 ' A' ' 52' ' ' VAL . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 44' ' ' LEU . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 47' ' ' LYS . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 41' ' ' ILE . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HE2' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 35' ' ' CYS . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.533 ' HB3' HD11 ' A' ' 68' ' ' LEU . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HG3' HD11 ' A' ' 75' ' ' ILE . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 93' ' ' LEU . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.449 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.822 ' CE1' HD22 ' A' ' 124' ' ' LEU . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HA ' HG22 ' A' ' 80' ' ' THR . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.634 ' HA ' HG11 ' A' ' 65' ' ' VAL . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.762 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.551 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 27' ' ' LEU . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.541 ' HE ' HG22 ' A' ' 148' ' ' THR . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 133' ' ' ILE . 22.4 pt -123.0 135.88 61.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.35 40.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 7.3 t -39.91 106.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.8 123.24 2.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.78 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.35 -46.15 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.88 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.822 HD22 ' CE1' ' A' ' 90' ' ' TYR . 44.4 mt -126.28 170.46 11.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 -144.14 124.6 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 117' ' ' ILE . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 132' ' ' MET . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.541 HG22 ' HE ' ' A' ' 116' ' ' ARG . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -124.62 106.15 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.03 104.57 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 128.88 6.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.06 107.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -120.45 166.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.38 -47.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.88 -73.22 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -47.23 168.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.94 -37.98 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -102.79 133.7 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' ILE . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.859 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 52' ' ' VAL . 30.9 tp60 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.696 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG22 ' CD1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB3' HG13 ' A' ' 67' ' ' VAL . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.571 ' CE1' HD22 ' A' ' 124' ' ' LEU . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.696 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 105' ' ' LEU . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.428 ' OD1' ' CE1' ' A' ' 103' ' ' HIS . 9.6 m120 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' HD23 ' A' ' 27' ' ' LEU . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 112' ' ' LEU . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -125.19 145.77 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.07 54.85 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 17.3 p -53.32 137.73 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' ARG . . . 98.35 75.59 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 121' ' ' LEU . 1.6 tm? -38.94 -51.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.13 -29.35 66.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLY . 23.5 mmm180 -75.76 -74.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 90' ' ' TYR . 14.4 mt -111.36 151.96 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -130.32 122.79 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' MET . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -137.26 124.68 22.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 p -123.5 157.24 34.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.97 -128.81 2.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 55.99 42.6 28.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -121.94 122.36 39.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.38 -134.56 2.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.48 -145.81 17.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ARG . 37.2 m -75.08 133.26 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' SER . 23.7 mmt85 -37.9 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -75.52 126.16 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 18' ' ' LEU . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 112' ' ' LEU . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 75' ' ' ILE . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.578 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 38' ' ' GLY . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' C ' ' CD ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 68' ' ' LEU . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' VAL . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.606 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 27' ' ' LEU . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.478 ' HG2' HD11 ' A' ' 124' ' ' LEU . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 95' ' ' LYS . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 92' ' ' ASN . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.458 ' HA ' HG11 ' A' ' 65' ' ' VAL . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' O ' HD12 ' A' ' 105' ' ' LEU . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.877 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.877 HG23 ' OD1' ' A' ' 107' ' ' ASN . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.471 HG23 ' OD1' ' A' ' 111' ' ' ASP . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.471 ' OD1' HG23 ' A' ' 110' ' ' THR . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt -118.68 142.34 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.66 48.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.2 t -44.92 151.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.51 102.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.497 ' O ' HD13 ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.58 -46.1 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ARG . 9.1 t0 -91.09 -56.22 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -34.02 -71.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 88' ' ' PRO . 58.0 mt -115.53 162.63 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -142.02 134.31 27.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 144' ' ' ILE . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' A' ' 137' ' ' PHE . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -44.66 154.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -66.94 105.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 118.27 2.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -115.77 83.88 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m -165.72 129.49 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.61 -39.82 0.17 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.9 50.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -44.82 126.02 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -40.47 -43.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.94 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 147' ' ' TYR . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.56 ' HB2' HD12 ' A' ' 112' ' ' LEU . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 115' ' ' PRO . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 53' ' ' GLN . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.584 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 68' ' ' LEU . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.645 ' CE1' HD21 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HD2' ' NH1' ' A' ' 123' ' ' ARG . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.716 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.807 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 26' ' ' SER . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.473 ' HG3' HD13 ' A' ' 41' ' ' ILE . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt -114.9 135.16 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -169.97 -42.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m 57.16 47.56 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.69 149.29 5.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.81 -54.35 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.7 24.72 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.4 ' NH1' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -86.79 -74.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.2 177.67 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -129.59 122.25 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.49 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.662 ' HB2' HD13 ' A' ' 18' ' ' LEU . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.64 137.92 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -55.67 141.03 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.21 170.61 15.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -131.6 120.54 22.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -123.04 92.72 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.41 -55.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.13 -126.62 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -44.11 138.59 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 -40.18 -45.41 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -78.36 126.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 75' ' ' ILE . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 77' ' ' TYR . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 49' ' ' PHE . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 55' ' ' LEU . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CE1' HD22 ' A' ' 124' ' ' LEU . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.617 ' HA ' HG11 ' A' ' 65' ' ' VAL . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.4 ' O ' HG22 ' A' ' 146' ' ' VAL . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.69 ' CZ ' HG21 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt -123.71 147.19 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 43.44 61.85 2.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.81 -46.43 7.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.46 114.18 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -42.51 -45.68 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -39.67 -49.78 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -91.83 -73.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 90' ' ' TYR . 62.0 mt -138.45 -178.05 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -135.7 124.96 24.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.442 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 132' ' ' MET . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 114' ' ' MET . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.522 ' HB2' HD13 ' A' ' 18' ' ' LEU . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m 54.02 41.7 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.06 158.72 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.12 -173.97 19.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -84.69 107.62 16.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 100.76 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 -170.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.36 -137.85 22.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.1 m -62.9 162.14 11.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -53.23 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -85.55 122.52 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 41' ' ' ILE . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 35' ' ' CYS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' ILE . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' HB3' ' NH1' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 44' ' ' LEU . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' HA2' ' A' ' 38' ' ' GLY . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 41' ' ' ILE . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 1.009 ' CD2' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.762 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.907 HG21 ' CD2' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.502 ' HB3' HG13 ' A' ' 67' ' ' VAL . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.408 ' HG2' ' ND1' ' A' ' 86' ' ' HIS . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HG2' ' A' ' 83' ' ' ARG . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.472 ' CD1' HD22 ' A' ' 124' ' ' LEU . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG11 ' A' ' 65' ' ' VAL . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.907 ' CD2' HG21 ' A' ' 67' ' ' VAL . 2.4 t-80 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HG3' HD13 ' A' ' 41' ' ' ILE . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt -126.87 149.03 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 126' ' ' TRP . . . 72.02 61.25 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -167.46 143.51 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.76 -100.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -51.45 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.15 168.98 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -86.65 -52.46 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 90' ' ' TYR . 88.8 mt -45.8 170.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -128.01 127.58 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.449 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 104' ' ' CYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -113.11 -43.86 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -79.03 94.44 5.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 -82.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -84.42 149.63 25.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.17 130.29 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.22 -85.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.43 -177.53 6.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 p -91.89 125.93 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -43.59 -41.84 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -85.44 132.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 15' ' ' LYS . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 14' ' ' VAL . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.696 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' A' ' 78' ' ' LEU . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.659 HG22 ' HA2' ' A' ' 38' ' ' GLY . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 41' ' ' ILE . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HA ' ' HZ2' ' A' ' 48' ' ' LYS . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HZ2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.489 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' A' ' 30' ' ' CYS . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' HB2' HD11 ' A' ' 124' ' ' LEU . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' CE1' HD22 ' A' ' 124' ' ' LEU . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.714 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.764 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt -121.08 148.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 63.52 59.58 8.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.537 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.3 p -72.2 177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.62 -45.09 30.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 tt -40.33 -62.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.18 156.54 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -54.18 -44.86 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 88' ' ' PRO . 32.6 mt -61.08 170.29 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -141.12 123.14 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.688 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 132' ' ' MET . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 143' ' ' LYS . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 142' ' ' ILE . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -85.74 80.89 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -48.26 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 -153.72 49.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -81.72 135.32 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -99.04 99.09 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 60.26 8.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.02 -55.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ARG . 23.5 p -129.82 122.16 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' SER . 56.2 mmt-85 -34.81 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -77.21 129.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 53' ' ' GLN . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 52' ' ' VAL . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD22 ' A' ' 68' ' ' LEU . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 34' ' ' ASP . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 68' ' ' LEU . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 ' HE2' ' A' ' 100' ' ' MET . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CE1' HD22 ' A' ' 124' ' ' LEU . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.431 HD21 HG13 ' A' ' 129' ' ' VAL . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 136' ' ' VAL . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 105' ' ' LEU . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.497 HG23 ' OD1' ' A' ' 107' ' ' ASN . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 112' ' ' LEU . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.709 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt -107.24 115.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 128.11 -120.49 3.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 118' ' ' GLY . 28.7 p 31.91 43.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.5 -177.5 14.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -56.27 -23.23 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 122' ' ' ASP . 19.9 p-10 -49.16 171.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.46 31.04 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 90' ' ' TYR . 55.6 mt -106.65 171.81 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -149.67 127.29 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.431 HG13 HD21 ' A' ' 93' ' ' LEU . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 132' ' ' MET . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' HG22 ' A' ' 14' ' ' VAL . 33.8 t -105.6 102.33 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -168.6 167.21 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 104.9 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.27 109.45 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -171.92 177.45 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 176.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.44 -98.39 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -106.62 138.12 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -44.08 18.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.44 133.41 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' OG ' ' A' ' 2' ' ' SER . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 44' ' ' LEU . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 41' ' ' ILE . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 103' ' ' HIS . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.501 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HG2' HG13 ' A' ' 136' ' ' VAL . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.592 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.415 ' CE1' HG11 ' A' ' 67' ' ' VAL . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.61 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.713 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.807 ' HD2' HG22 ' A' ' 148' ' ' THR . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt -128.69 124.2 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.78 86.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -165.14 152.11 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 52.94 -96.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.66 -54.69 38.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.89 162.33 2.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -83.36 -48.83 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD22 ' CE1' ' A' ' 90' ' ' TYR . 75.4 mt -48.67 172.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -134.82 121.43 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.456 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 98' ' ' GLU . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 137' ' ' PHE . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.807 HG22 ' HD2' ' A' ' 116' ' ' ARG . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -153.99 116.1 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -110.16 101.86 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -65.42 2.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -165.87 166.67 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -86.43 85.06 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.76 -123.14 30.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.7 77.09 2.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.427 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -131.61 170.79 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -108.06 -42.46 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.62 130.43 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB2' HD12 ' A' ' 112' ' ' LEU . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 44' ' ' LEU . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 41' ' ' ILE . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.573 ' N ' HG23 ' A' ' 52' ' ' VAL . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB3' HD11 ' A' ' 68' ' ' LEU . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 76' ' ' TYR . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.642 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt -129.11 137.18 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.95 48.34 54.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLY . 8.8 t -61.16 166.77 3.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' CYS . . . -37.02 -52.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.6 mp -45.46 -46.52 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -67.09 147.03 53.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -46.65 -54.83 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.484 HD22 ' CE1' ' A' ' 90' ' ' TYR . 21.6 mt -58.18 170.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 -136.12 125.18 24.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -155.18 137.51 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.374 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -104.61 -60.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 121.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -170.64 117.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -139.6 155.99 47.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.65 166.06 38.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.74 -155.36 21.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -58.68 178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -65.15 -56.1 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt -105.01 131.52 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 35' ' ' CYS . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' ILE . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.796 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 47' ' ' LYS . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.602 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.731 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 100' ' ' MET . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.731 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.653 ' HE2' HD21 ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.809 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt -127.31 142.42 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.93 50.41 58.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.2 t -142.34 130.84 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.44 -130.12 8.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.68 -41.88 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -44.14 139.73 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -51.94 -49.41 63.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 90' ' ' TYR . 13.3 mt -55.19 171.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -149.53 138.25 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 133' ' ' ILE . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 130' ' ' SER . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 132' ' ' MET . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 143' ' ' LYS . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 142' ' ' ILE . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -156.72 166.17 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -163.74 171.1 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -116.74 -49.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.9 m 37.15 46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -87.7 122.93 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.96 171.83 23.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.2 -120.68 5.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 159.47 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.86 -41.3 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -93.65 132.91 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 147' ' ' TYR . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 112' ' ' LEU . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 69.1 t60 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 35' ' ' CYS . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HA ' HD12 ' A' ' 31' ' ' ILE . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.625 HG13 ' HE3' ' A' ' 46' ' ' LYS . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 HD23 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' HG13 ' A' ' 43' ' ' VAL . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 53' ' ' GLN . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' N ' HG23 ' A' ' 52' ' ' VAL . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.738 ' CE1' HD22 ' A' ' 124' ' ' LEU . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 129' ' ' VAL . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.737 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 28' ' ' ALA . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.34 107.68 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.61 42.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.5 -45.92 6.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.32 109.91 3.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.84 -50.6 73.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.33 -52.86 7.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -41.23 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.738 HD22 ' CE1' ' A' ' 90' ' ' TYR . 72.2 mt -126.22 169.68 12.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -147.03 120.29 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 26.8 m120 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 93' ' ' LEU . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.54 ' HB2' HD13 ' A' ' 18' ' ' LEU . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -148.14 165.09 31.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -103.71 142.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.9 117.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -100.21 116.01 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -112.54 179.43 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -100.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 42.14 -154.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -85.55 152.25 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -49.98 -43.95 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -82.79 133.32 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' HE2' HD13 ' A' ' 44' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 112' ' ' LEU . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' CYS . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.499 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 44' ' ' LEU . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 41' ' ' ILE . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HB3' HD11 ' A' ' 68' ' ' LEU . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 74' ' ' TYR . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 49' ' ' PHE . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' HD22 ' A' ' 124' ' ' LEU . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 26' ' ' SER . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt -120.57 117.2 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.85 65.66 1.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -151.05 128.47 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.66 -108.96 3.62 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.03 -56.49 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -47.17 127.99 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -50.06 -46.24 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 90' ' ' TYR . 28.6 mt -50.66 168.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -138.37 127.85 24.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 8.6 m120 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 132' ' ' MET . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 148' ' ' THR . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 146' ' ' VAL . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -69.33 164.78 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -80.45 108.77 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.37 44.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -87.02 149.57 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -117.44 -47.69 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 46.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.4 131.16 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 m -57.88 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.4 -17.99 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt -59.38 130.03 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HH ' ' HZ2' ' A' ' 126' ' ' TRP . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB2' HD12 ' A' ' 112' ' ' LEU . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 49' ' ' PHE . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.507 HG13 ' NZ ' ' A' ' 46' ' ' LYS . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.507 ' NZ ' HG13 ' A' ' 43' ' ' VAL . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 53' ' ' GLN . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HG23 ' A' ' 52' ' ' VAL . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.807 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.883 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.85 HG21 ' CD2' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' GLU . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' HB3' HG13 ' A' ' 67' ' ' VAL . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.704 HD11 ' CE2' ' A' ' 49' ' ' PHE . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 67' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.667 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 93' ' ' LEU . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 80' ' ' THR . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 94' ' ' GLN . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.883 ' HA ' HG11 ' A' ' 65' ' ' VAL . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.85 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.5 t-80 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.747 ' H ' HD12 ' A' ' 105' ' ' LEU . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 26' ' ' SER . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt -122.2 147.55 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 145.49 45.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' GLY . 27.2 p -37.82 127.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . 84.94 75.38 1.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' GLY . 6.9 tp -38.31 -42.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.53 -51.05 25.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -50.65 -69.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 49.9 mt -110.32 169.63 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -140.23 134.68 31.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.415 ' HZ2' ' HH ' ' A' ' 13' ' ' TYR . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.502 ' HB2' HD13 ' A' ' 18' ' ' LEU . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -134.85 177.86 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -141.65 165.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -122.25 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -115.74 42.27 2.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -162.14 107.98 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 -70.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.97 70.15 1.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 164.8 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -112.44 -43.75 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -48.84 134.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 147' ' ' TYR . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 22' ' ' PRO . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 45' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 35' ' ' CYS . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.921 ' HA ' HD12 ' A' ' 31' ' ' ILE . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.672 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 44' ' ' LEU . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 48' ' ' LYS . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB3' ' NZ ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.604 ' HE2' HD22 ' A' ' 44' ' ' LEU . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 75' ' ' ILE . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 52' ' ' VAL . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 76' ' ' TYR . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 49' ' ' PHE . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' CD1' HG22 ' A' ' 67' ' ' VAL . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.651 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.833 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.729 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 107' ' ' ASN . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt -122.99 145.7 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 44.93 79.13 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -134.82 -65.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . -101.44 -88.48 2.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' GLY . 12.9 mt -34.93 -63.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.82 155.8 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.38 -39.18 65.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.3 178.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -133.9 133.32 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.633 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -127.54 151.71 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -65.73 -51.54 58.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.92 112.53 1.08 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -93.8 136.3 34.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -96.11 159.31 15.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 124.01 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.64 -122.96 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -69.75 156.8 38.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -69.16 -49.51 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt -87.83 129.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.627 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 46' ' ' LYS . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 HD12 HG13 ' A' ' 41' ' ' ILE . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD1' HD11 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB3' HD11 ' A' ' 68' ' ' LEU . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.68 HD11 ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 121' ' ' LEU . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' O ' HD21 ' A' ' 124' ' ' LEU . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' ' 105' ' ' LEU . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.458 HG23 ' OD1' ' A' ' 111' ' ' ASP . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 110' ' ' THR . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.466 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.66 HD11 HG11 ' A' ' 129' ' ' VAL . 33.0 pt -115.82 140.44 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.57 36.95 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.31 173.02 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.17 -57.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 84' ' ' ALA . 10.7 tp -51.11 -40.01 57.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.335 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.37 -36.87 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 59.63 31.29 20.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 88' ' ' PRO . 68.8 mt -116.47 162.51 17.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -111.32 120.55 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.66 HG11 HD11 ' A' ' 117' ' ' ILE . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 132' ' ' MET . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -174.45 158.58 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -64.44 105.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 83.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -62.25 112.84 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.63 143.79 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 166.79 35.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -59.83 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' ARG . 58.7 m -86.63 121.87 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 3.3 tpt180 -37.52 -48.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt -60.81 131.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 147' ' ' TYR . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 112' ' ' LEU . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.431 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 81.0 t60 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.542 HG13 HD12 ' A' ' 44' ' ' LEU . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 ' HA2' ' A' ' 38' ' ' GLY . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD12 HG13 ' A' ' 41' ' ' ILE . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 66' ' ' ALA . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.521 ' HG2' HD11 ' A' ' 124' ' ' LEU . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' CE1' HD22 ' A' ' 124' ' ' LEU . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HB3' HG11 ' A' ' 136' ' ' VAL . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 65' ' ' VAL . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.545 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 26' ' ' SER . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 129' ' ' VAL . 27.0 pt -118.58 135.17 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.6 47.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -40.82 129.25 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.26 117.98 3.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.48 -53.84 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER -86.12 -51.66 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 122' ' ' ASP . 37.8 mmt-85 -34.98 -61.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.53 HD22 ' CE1' ' A' ' 90' ' ' TYR . 34.1 mt -122.65 170.64 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 -147.55 122.22 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.58 HG11 HG13 ' A' ' 117' ' ' ILE . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 97' ' ' LEU . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.799 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' TYR . . . . . 0.673 ' HB2' HD13 ' A' ' 18' ' ' LEU . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -116.1 166.22 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -99.82 -52.39 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.56 129.6 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -88.34 80.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -174.94 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -133.53 74.57 0.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.81 -74.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -82.17 174.0 11.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -80.69 -42.06 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -82.49 139.13 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 44' ' ' LEU . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 41' ' ' ILE . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.865 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.841 HG21 ' CD2' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 55' ' ' LEU . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.521 HD22 ' OG ' ' A' ' 96' ' ' SER . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 78' ' ' LEU . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.865 ' HA ' HG11 ' A' ' 65' ' ' VAL . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 105' ' ' LEU . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.841 ' CD2' HG21 ' A' ' 67' ' ' VAL . 1.6 t-80 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 105' ' ' LEU . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt -123.88 113.99 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 137.88 43.92 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.6 t -148.09 163.2 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.77 -123.24 24.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.12 -54.61 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -38.48 -45.81 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 58.57 27.45 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.0 mt -100.22 171.24 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -114.16 118.94 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 132' ' ' MET . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.672 HG23 ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.913 0.387 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 15' ' ' LYS . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.747 HD21 ' HD3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HD11 ' A' ' 56' ' ' LEU . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 44' ' ' LEU . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HE3' ' A' ' 47' ' ' LYS . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 41' ' ' ILE . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 43' ' ' VAL . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' SG ' ' A' ' 35' ' ' CYS . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' N ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' HH ' ' N ' ' A' ' 125' ' ' GLN . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' GLN . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 136' ' ' VAL . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.609 ' HA ' HG11 ' A' ' 65' ' ' VAL . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.786 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' OD1' ' A' ' 107' ' ' ASN . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.747 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' A' ' 148' ' ' THR . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.428 ' N ' ' HH ' ' A' ' 90' ' ' TYR . 11.3 mt-30 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.743 0.306 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 55.6 m-20 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.728 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 132' ' ' MET . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 116' ' ' ARG . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.875 0.369 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 44' ' ' LEU . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 HG13 ' A' ' 41' ' ' ILE . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' VAL . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' HD11 ' A' ' 68' ' ' LEU . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.551 HD22 ' OG ' ' A' ' 96' ' ' SER . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 HG13 ' A' ' 129' ' ' VAL . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.551 ' OG ' HD22 ' A' ' 78' ' ' LEU . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.498 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 105' ' ' LEU . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 107' ' ' ASN . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.752 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.528 HG13 HD21 ' A' ' 93' ' ' LEU . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.48 ' HB2' HD13 ' A' ' 18' ' ' LEU . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 149' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.915 0.388 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 15' ' ' LYS . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 113' ' ' SER . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG12 ' A' ' 52' ' ' VAL . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 44' ' ' LEU . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 47' ' ' LYS . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 41' ' ' ILE . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HE2' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 35' ' ' CYS . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.533 ' HB3' HD11 ' A' ' 68' ' ' LEU . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HG3' HD11 ' A' ' 75' ' ' ILE . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 93' ' ' LEU . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HA ' HG22 ' A' ' 80' ' ' THR . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.634 ' HA ' HG11 ' A' ' 65' ' ' VAL . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.551 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 27' ' ' LEU . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.541 ' HE ' HG22 ' A' ' 148' ' ' THR . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 133' ' ' ILE . 22.4 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 117' ' ' ILE . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 132' ' ' MET . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.541 HG22 ' HE ' ' A' ' 116' ' ' ARG . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.96 0.41 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' ILE . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.859 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 52' ' ' VAL . 7.3 tp-100 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 53' ' ' GLN . 16.7 m-80 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.696 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.555 HG22 ' CD1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB3' HG13 ' A' ' 67' ' ' VAL . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.859 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.696 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 105' ' ' LEU . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.578 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 5.3 m-80 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' HD23 ' A' ' 27' ' ' LEU . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 112' ' ' LEU . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.749 0.309 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' MET . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.881 0.372 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 18' ' ' LEU . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 112' ' ' LEU . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 75' ' ' ILE . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.578 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 38' ' ' GLY . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' CD ' ' C ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 68' ' ' LEU . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' VAL . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.606 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 27' ' ' LEU . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.407 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HD3' ' NZ ' ' A' ' 81' ' ' LYS . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 95' ' ' LYS . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 92' ' ' ASN . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.458 ' HA ' HG11 ' A' ' 65' ' ' VAL . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.83 ' O ' HD12 ' A' ' 105' ' ' LEU . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.877 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.877 HG23 ' OD1' ' A' ' 107' ' ' ASN . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.471 HG23 ' OD1' ' A' ' 111' ' ' ASP . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.471 ' OD1' HG23 ' A' ' 110' ' ' THR . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 144' ' ' ILE . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' A' ' 137' ' ' PHE . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.88 0.371 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 147' ' ' TYR . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.56 ' HB2' HD12 ' A' ' 112' ' ' LEU . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 115' ' ' PRO . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 53' ' ' GLN . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.584 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 68' ' ' LEU . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.645 ' CE1' HD21 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.716 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.535 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 45.4 t-80 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.807 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 46.2 m-80 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 26' ' ' SER . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.473 ' HG3' HD13 ' A' ' 41' ' ' ILE . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.49 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.662 ' HB2' HD13 ' A' ' 18' ' ' LEU . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 75' ' ' ILE . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 77' ' ' TYR . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 49' ' ' PHE . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 55' ' ' LEU . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.419 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.617 ' HA ' HG11 ' A' ' 65' ' ' VAL . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.662 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.4 ' O ' HG22 ' A' ' 146' ' ' VAL . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.69 ' CZ ' HG21 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 129' ' ' VAL . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 132' ' ' MET . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 114' ' ' MET . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.522 ' HB2' HD13 ' A' ' 18' ' ' LEU . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.91 0.386 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 41' ' ' ILE . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 35' ' ' CYS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' ILE . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 44' ' ' LEU . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' HA2' ' A' ' 38' ' ' GLY . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 41' ' ' ILE . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 1.009 ' CD2' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.762 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.936 HG11 ' CE1' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.502 ' HB3' HG13 ' A' ' 67' ' ' VAL . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.408 ' HG2' ' ND1' ' A' ' 86' ' ' HIS . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HG2' ' A' ' 83' ' ' ARG . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' C ' ' O ' ' A' ' 89' ' ' THR . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG11 ' A' ' 65' ' ' VAL . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.936 ' CE1' HG11 ' A' ' 67' ' ' VAL . 3.1 t60 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HG3' HD13 ' A' ' 41' ' ' ILE . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.449 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 104' ' ' CYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.844 0.354 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 15' ' ' LYS . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 14' ' ' VAL . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.696 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' A' ' 78' ' ' LEU . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.659 HG22 ' HA2' ' A' ' 38' ' ' GLY . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 41' ' ' ILE . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HA ' ' HZ2' ' A' ' 48' ' ' LYS . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HZ2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.489 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' A' ' 30' ' ' CYS . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.714 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.445 ' CE1' HD21 ' A' ' 107' ' ' ASN . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.764 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.445 HD21 ' CE1' ' A' ' 103' ' ' HIS . 5.0 m-80 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.815 0.34 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.688 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 132' ' ' MET . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 143' ' ' LYS . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 142' ' ' ILE . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.93 0.395 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.646 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 53' ' ' GLN . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 52' ' ' VAL . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD22 ' A' ' 68' ' ' LEU . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 34' ' ' ASP . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 68' ' ' LEU . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 ' HE2' ' A' ' 100' ' ' MET . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.412 ' HH ' ' N ' ' A' ' 125' ' ' GLN . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.431 HD21 HG13 ' A' ' 129' ' ' VAL . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 136' ' ' VAL . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 105' ' ' LEU . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.497 HG23 ' OD1' ' A' ' 107' ' ' ASN . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 112' ' ' LEU . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.709 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.412 ' N ' ' HH ' ' A' ' 90' ' ' TYR . 61.0 mt-30 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.771 0.32 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.431 HG13 HD21 ' A' ' 93' ' ' LEU . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 132' ' ' MET . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.919 0.39 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 44' ' ' LEU . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 41' ' ' ILE . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.821 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 103' ' ' HIS . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.501 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HG2' HG13 ' A' ' 136' ' ' VAL . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.592 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.442 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.713 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.807 ' HD2' HG22 ' A' ' 148' ' ' THR . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.456 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 98' ' ' GLU . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 137' ' ' PHE . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.807 HG22 ' HD2' ' A' ' 116' ' ' ARG . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.873 0.368 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB2' HD12 ' A' ' 112' ' ' LEU . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 44' ' ' LEU . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 41' ' ' ILE . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.573 ' N ' HG23 ' A' ' 52' ' ' VAL . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB3' HD11 ' A' ' 68' ' ' LEU . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 76' ' ' TYR . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.642 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.794 0.331 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.883 0.373 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 13.9 t-80 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 35' ' ' CYS . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' ILE . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.796 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 47' ' ' LYS . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.602 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.731 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 100' ' ' MET . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.731 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.653 ' HE2' HD21 ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.809 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.41 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.41 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 35.4 m-80 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.783 0.325 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 133' ' ' ILE . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 130' ' ' SER . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 132' ' ' MET . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 143' ' ' LYS . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 142' ' ' ILE . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.908 0.385 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 147' ' ' TYR . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 112' ' ' LEU . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 17.9 t-80 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 35' ' ' CYS . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HA ' HD12 ' A' ' 31' ' ' ILE . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.625 HG13 ' HE3' ' A' ' 46' ' ' LYS . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 HD23 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' HG13 ' A' ' 43' ' ' VAL . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 53' ' ' GLN . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' N ' HG23 ' A' ' 52' ' ' VAL . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.438 ' CD1' ' HE1' ' A' ' 132' ' ' MET . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 129' ' ' VAL . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.737 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 28' ' ' ALA . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.417 ' N ' ' HH ' ' A' ' 90' ' ' TYR . 17.2 mt-30 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 68.0 m-80 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 93' ' ' LEU . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.54 ' HB2' HD13 ' A' ' 18' ' ' LEU . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.907 0.384 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.597 ' HE2' HD13 ' A' ' 44' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 112' ' ' LEU . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' CYS . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.499 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 44' ' ' LEU . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 41' ' ' ILE . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HB3' HD11 ' A' ' 68' ' ' LEU . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 74' ' ' TYR . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 49' ' ' PHE . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.454 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 89' ' ' THR . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.763 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 26' ' ' SER . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.1 m-80 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 132' ' ' MET . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 148' ' ' THR . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 146' ' ' VAL . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HH ' ' HZ2' ' A' ' 126' ' ' TRP . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB2' HD12 ' A' ' 112' ' ' LEU . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 49' ' ' PHE . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.507 HG13 ' NZ ' ' A' ' 46' ' ' LYS . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.507 ' NZ ' HG13 ' A' ' 43' ' ' VAL . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 53' ' ' GLN . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HG23 ' A' ' 52' ' ' VAL . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.807 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.883 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.65 HG21 ' ND1' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' GLU . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.618 ' HB3' HG13 ' A' ' 67' ' ' VAL . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.704 HD11 ' CE2' ' A' ' 49' ' ' PHE . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 67' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.667 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 93' ' ' LEU . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 80' ' ' THR . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 94' ' ' GLN . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.883 ' HA ' HG11 ' A' ' 65' ' ' VAL . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.65 ' ND1' HG21 ' A' ' 67' ' ' VAL . 2.1 t60 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.747 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 26' ' ' SER . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.773 0.32 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.415 ' HZ2' ' HH ' ' A' ' 13' ' ' TYR . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.502 ' HB2' HD13 ' A' ' 18' ' ' LEU . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.842 0.353 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 147' ' ' TYR . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 22' ' ' PRO . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 45' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 35' ' ' CYS . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.921 ' HA ' HD12 ' A' ' 31' ' ' ILE . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.672 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 44' ' ' LEU . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 48' ' ' LYS . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.604 ' HE2' HD22 ' A' ' 44' ' ' LEU . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 75' ' ' ILE . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 52' ' ' VAL . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 76' ' ' TYR . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.481 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 49' ' ' PHE . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.423 ' CD1' HG22 ' A' ' 67' ' ' VAL . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.651 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.833 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.729 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 107' ' ' ASN . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.633 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.882 0.372 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.627 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 46' ' ' LYS . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 HD12 HG13 ' A' ' 41' ' ' ILE . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD1' HD11 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB3' HD11 ' A' ' 68' ' ' LEU . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.68 HD11 ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.484 ' CE1' HD21 ' A' ' 107' ' ' ASN . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.773 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.484 HD21 ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.458 HG23 ' OD1' ' A' ' 111' ' ' ASP . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 110' ' ' THR . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.466 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.66 HD11 HG11 ' A' ' 129' ' ' VAL . 33.0 pt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.66 HG11 HD11 ' A' ' 117' ' ' ILE . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 132' ' ' MET . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.865 0.364 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 147' ' ' TYR . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 112' ' ' LEU . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 31.3 t-80 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.451 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.542 HG13 HD12 ' A' ' 44' ' ' LEU . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 ' HA2' ' A' ' 38' ' ' GLY . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD12 HG13 ' A' ' 41' ' ' ILE . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 66' ' ' ALA . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HB3' HG11 ' A' ' 136' ' ' VAL . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 65' ' ' VAL . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.545 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 26' ' ' SER . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 129' ' ' VAL . 27.0 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.808 0.337 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.58 HG11 HG13 ' A' ' 117' ' ' ILE . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 97' ' ' LEU . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.799 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . 0.673 ' HB2' HD13 ' A' ' 18' ' ' LEU . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.885 0.374 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 44' ' ' LEU . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 41' ' ' ILE . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.865 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.997 HG11 ' CE1' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.423 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 55' ' ' LEU . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.521 HD22 ' OG ' ' A' ' 96' ' ' SER . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 78' ' ' LEU . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.865 ' HA ' HG11 ' A' ' 65' ' ' VAL . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 105' ' ' LEU . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.997 ' CE1' HG11 ' A' ' 67' ' ' VAL . 2.1 t60 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.744 0.307 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 132' ' ' MET . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.672 HG23 ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -135.82 131.37 35.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.822 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.9 p -77.11 112.4 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -56.28 97.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.1 t -129.29 108.1 10.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -122.23 155.8 35.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.47 167.02 4.1 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.27 -141.12 22.27 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.9 m 41.76 38.46 0.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.379 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 mmm-85 -68.55 -2.53 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 55.9 mt -81.32 124.33 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.5 m -114.75 140.66 48.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -103.06 132.4 49.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 15' ' ' LYS . 97.7 t -124.31 152.21 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' N ' HG12 ' A' ' 14' ' ' VAL . 18.2 ttpp -110.67 122.61 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 135.0 -174.84 20.95 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -45.0 163.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.869 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.747 HD21 ' HD3' ' A' ' 115' ' ' PRO . 9.4 tp -121.57 -23.72 5.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.587 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 6.4 m-85 -106.54 -29.47 9.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.86 -15.84 31.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -72.69 -60.46 1.98 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.7 143.68 51.9 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -108.87 -26.64 10.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.0 p -128.09 -29.1 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.13 139.17 42.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -87.86 176.67 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.5 mt -111.84 143.95 41.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.74 131.72 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.697 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -157.2 174.48 15.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.815 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 p -103.81 140.37 37.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.697 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 9.5 pt -141.89 -175.22 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.14 158.6 16.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' CD ' ' HG2' ' A' ' 82' ' ' LYS . 83.4 mt-10 -61.17 -31.42 71.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 35' ' ' CYS . 1.2 m-20 -89.15 25.28 1.9 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' SG ' HD11 ' A' ' 56' ' ' LEU . 28.8 p 35.26 42.46 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 50.4 mtt-85 -76.42 50.63 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 66.2 mtm -67.29 83.33 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.84 35.48 1.01 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.55 135.54 8.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.816 0.341 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.27 -151.12 52.22 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.454 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.566 HG13 HD12 ' A' ' 44' ' ' LEU . 12.3 tt -65.0 -32.78 59.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.87 0.367 . . . . 0.0 111.155 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -43.0 -28.43 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG12 ' HE3' ' A' ' 47' ' ' LYS . 91.8 t -61.6 -57.38 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 41' ' ' ILE . 83.7 mt -45.11 -52.07 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -48.22 -51.28 26.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' CA ' ' A' ' 50' ' ' GLY . 0.2 OUTLIER -56.78 -21.6 29.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' HE3' HG12 ' A' ' 43' ' ' VAL . 66.1 mttt -91.22 -35.54 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.587 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 2.5 mptp? -64.14 -53.32 51.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 8.0 p90 -117.62 -31.12 5.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.478 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . 37.52 57.56 1.48 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.513 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.27 48.38 0.96 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -57.24 -43.77 82.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -64.12 -31.11 72.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -77.74 -38.06 47.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.0 mt -70.52 -49.41 48.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD11 ' SG ' ' A' ' 35' ' ' CYS . 66.1 mt -54.33 -34.62 61.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -60.55 -14.01 17.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 60' ' ' LYS . 77.4 mt-30 -83.49 -19.23 36.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 51.45 47.88 23.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -83.07 167.24 18.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.1 mttp -150.24 -179.36 7.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.7 m -49.62 138.41 14.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.74 -11.58 61.61 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -109.33 158.65 17.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.842 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.609 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -127.66 138.31 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.464 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -96.06 151.87 19.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.2 143.19 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.4 tp -144.41 123.21 12.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.4 tptt -93.78 96.19 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 tpt85 -71.42 -66.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -129.37 -67.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -138.76 32.04 2.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.1 154.11 35.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.811 0.338 . . . . 0.0 110.912 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.0 m-85 -104.28 112.1 25.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.6 mt -84.21 125.01 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -97.18 147.54 23.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.936 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.462 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 42.9 m-85 -131.82 95.32 3.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -70.18 124.01 23.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 43.7 mt -108.19 120.57 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.9 p -117.85 -44.51 2.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -108.65 162.73 13.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' HG2' ' CD ' ' A' ' 33' ' ' GLU . 19.2 mtmm -94.51 -42.53 8.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 37.7 mtm180 -148.02 159.91 43.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.03 -39.49 12.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.7 t -55.75 -33.94 64.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -92.8 120.38 33.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' N ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -75.25 150.07 84.99 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 110.905 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 145.59 57.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.643 2.229 . . . . 0.0 112.321 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.2 p -121.52 144.66 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.59 ' CE1' HD22 ' A' ' 124' ' ' LEU . 17.0 m-85 -60.46 -43.43 96.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -47.74 -57.95 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -58.49 -49.64 76.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 tp -43.56 -62.32 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 97' ' ' LEU . 7.6 tt0 -42.43 -57.64 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -51.06 -52.57 42.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 20.0 m -46.87 -43.25 18.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 94' ' ' GLN . 18.1 mt -64.12 -39.05 93.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' HG2' HG13 ' A' ' 136' ' ' VAL . 10.1 mt-10 -66.3 -34.91 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.03 -34.04 61.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.609 ' HA ' HG11 ' A' ' 65' ' ' VAL . 51.1 ttp -68.22 -57.81 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.85 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.786 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.0 pttp -52.54 -46.3 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.3 t -39.63 -35.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 104' ' ' CYS . 4.8 t-80 -70.15 -56.29 7.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.404 ' C ' ' O ' ' A' ' 103' ' ' HIS . 89.1 m -38.07 -55.26 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.786 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -63.02 -51.48 66.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -41.14 -50.51 3.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.6 OUTLIER -91.3 -69.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.78 51.59 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.474 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG23 ' OD1' ' A' ' 107' ' ' ASN . 90.0 t -101.7 98.46 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.877 0.37 . . . . 0.0 111.09 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.6 t -98.8 30.58 3.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -155.83 123.18 5.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.5 tp -143.23 152.15 41.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.7 m -143.68 126.29 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 16.1 ptp -139.12 139.06 22.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.553 0.692 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.747 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.78 -169.46 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' CD ' HG22 ' A' ' 148' ' ' THR . 80.0 mtm180 -76.9 119.43 20.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -113.91 134.31 57.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 132.26 58.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.6 p -64.55 155.97 31.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 81.71 147.03 5.75 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 121' ' ' LEU . 0.1 OUTLIER -87.22 -38.08 16.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.328 . . . . 0.0 110.899 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -90.67 -40.42 11.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 mmt-85 -44.93 -71.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.59 HD22 ' CE1' ' A' ' 90' ' ' TYR . 83.3 mt -134.23 177.55 7.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -146.2 116.61 7.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.529 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 65.7 t-105 -39.75 -47.87 2.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -40.65 -45.24 2.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 55.6 m-20 -69.82 -58.44 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 132' ' ' MET . 76.9 t -48.05 -64.35 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.172 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.529 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 27.3 t -38.87 -35.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -70.06 -45.17 67.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.728 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.01 -38.95 68.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 73.3 mt -64.15 -26.08 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -77.23 -48.64 17.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -67.13 -37.4 83.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 132' ' ' MET . 93.0 t -69.7 -45.47 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.483 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 52.9 m-85 -91.9 -2.14 56.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.9 pt-20 -42.19 -39.53 2.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -117.75 68.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.4 p -150.9 172.61 15.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -122.47 38.77 4.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.811 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 16.2 mt -116.28 133.53 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -96.15 133.58 40.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.954 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.483 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 23.1 mt -122.94 150.08 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 82.8 m -136.04 138.9 42.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.5 t -111.52 109.07 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -85.77 137.47 32.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.449 HG22 ' CD ' ' A' ' 116' ' ' ARG . 67.3 p -131.19 107.7 9.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.144 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 40.36 42.36 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 110.847 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.3 m -90.26 102.24 14.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.832 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.93 115.48 0.93 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -59.18 115.84 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.895 0.378 . . . . 0.0 110.804 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -110.18 126.51 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.23 96.0 0.1 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.532 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.01 -71.15 1.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -63.16 174.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.377 . . . . 0.0 110.875 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -71.91 -57.6 4.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.7 mt -86.58 124.34 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.7 m -118.85 142.97 47.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -105.2 127.8 53.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.3 t -123.24 148.72 27.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -108.9 118.52 37.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.42 -167.15 23.96 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.06 156.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.1 tp -116.7 -38.45 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD2' ' HD2' ' A' ' 48' ' ' LYS . 5.1 m-85 -94.98 -36.28 11.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.96 66.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -58.05 -60.15 11.0 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.547 0.689 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.75 168.72 20.74 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.262 . . . . 0.0 112.341 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -118.35 -41.82 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.945 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.59 -27.67 2.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -35.5 141.64 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.8 m -88.93 168.55 12.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.6 mt -115.34 157.69 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.64 113.01 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.6 t-80 -131.04 170.41 14.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 19.3 t -103.68 128.47 51.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 8.0 pt -134.87 -177.39 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 p -93.76 175.74 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -70.09 -34.85 73.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.3 14.97 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 66.9 m 47.49 30.88 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 1.1 mmp_? -71.69 78.84 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -97.84 118.66 34.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.81 40.78 0.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.44 123.73 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.03 -161.0 51.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.444 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 HD12 ' A' ' 44' ' ' LEU . 12.2 tt -56.62 -22.74 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 111.168 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -50.8 -33.6 24.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 44' ' ' LEU . 40.0 t -60.42 -59.26 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD12 HG13 ' A' ' 41' ' ' ILE . 25.4 mt -33.87 -38.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 43' ' ' VAL . 24.6 m-85 -64.56 -56.83 11.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.25 -26.51 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -90.04 -43.11 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.573 ' HD2' ' CD2' ' A' ' 19' ' ' PHE . 4.8 mmpt? -54.47 -50.28 68.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.562 ' CE2' HD11 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -127.2 -50.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 84.08 -84.98 1.56 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.17 42.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -65.39 -29.22 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.768 0.318 . . . . 0.0 111.125 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -89.98 -29.65 18.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HB3' HD11 ' A' ' 68' ' ' LEU . 4.8 mm-40 -69.69 -36.58 76.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.6 mt -71.21 -48.47 51.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 mt -54.0 -34.58 60.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -57.97 -21.55 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -76.45 -19.83 57.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 51.2 46.88 25.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -77.41 172.96 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -158.65 166.45 32.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.0 p -41.3 139.89 0.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.91 -23.58 30.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -108.82 170.82 7.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.937 0.399 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.2 p -128.43 144.02 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.23 136.78 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.25 133.47 69.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.439 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.9 tp -139.1 122.06 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 4.7 tmtm? -79.51 94.71 5.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.8 tpt180 -125.71 160.21 30.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' ARG . 25.6 t0 36.19 41.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.77 47.83 75.94 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -162.61 155.32 19.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 24.7 m-85 -101.85 110.05 21.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.562 HD11 ' CE2' ' A' ' 49' ' ' PHE . 66.1 mt -93.47 139.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -110.71 133.44 53.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 20.3 m-85 -118.35 92.66 3.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.551 HD22 ' OG ' ' A' ' 96' ' ' SER . 13.2 mt -61.25 122.51 15.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.8 mt -106.59 121.55 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.8 p -127.19 -36.8 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 ptmm? -112.48 161.18 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -102.98 -53.03 2.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -133.6 152.38 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.38 -40.4 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 t -49.85 -40.65 43.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -89.42 143.47 26.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 149.52 35.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.563 0.696 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HB2' HD11 ' A' ' 124' ' ' LEU . 53.8 Cg_endo -69.75 134.46 28.06 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.682 2.255 . . . . 0.0 112.381 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.6 p -110.98 138.1 47.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.156 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.635 ' CE1' HD22 ' A' ' 124' ' ' LEU . 25.1 m-85 -52.12 -45.88 65.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -45.17 -55.58 5.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -61.53 -39.89 92.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 HG13 ' A' ' 129' ' ' VAL . 35.7 tp -57.16 -66.39 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 13.6 tt0 -35.5 -46.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -62.33 -55.08 31.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.551 ' OG ' HD22 ' A' ' 78' ' ' LEU . 3.8 p -44.72 -39.33 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.818 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.0 mt -67.16 -35.75 80.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -67.93 -39.34 83.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.52 64.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.498 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -65.38 -65.48 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.641 ' O ' HD12 ' A' ' 105' ' ' LEU . 6.5 pttp -45.36 -50.44 12.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.41 -40.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.487 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 19.1 t-80 -69.6 -45.58 68.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 101' ' ' LYS . 93.3 m -45.44 -59.83 2.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.753 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.0 mp -56.59 -51.73 67.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -40.38 -59.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.2 p30 -79.92 -63.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 143.64 43.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.715 HG23 ' OD1' ' A' ' 107' ' ' ASN . 96.0 t -96.52 95.86 5.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 111.154 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.0 t -91.51 -34.13 14.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -94.76 122.08 37.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.1 tp -135.81 152.87 51.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 20.2 m -140.66 141.12 35.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.9 ptp -161.82 138.33 6.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.913 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.752 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.2 Cg_endo -69.71 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -74.3 119.22 18.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.2 pt -116.83 106.73 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 152.26 -53.07 0.47 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 31.8 p -89.17 136.48 33.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.18 -119.33 2.92 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.5 tp -55.43 -48.02 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.43 147.23 26.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -83.98 32.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 90' ' ' TYR . 95.7 mt -87.84 178.41 6.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -132.28 117.61 18.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -45.98 -39.38 8.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -49.32 -43.04 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.85 -53.07 16.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.528 HG13 HD21 ' A' ' 93' ' ' LEU . 95.1 t -53.51 -59.8 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 56.5 p -38.8 -40.66 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.41 -41.26 85.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 1.5 mpp? -59.22 -29.81 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -77.28 -28.7 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 138' ' ' GLU . 17.7 mt-10 -75.04 -48.0 26.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -66.64 -40.04 88.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 73.9 t -67.5 -47.68 79.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.402 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 43.4 m-85 -87.84 -2.05 58.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 134' ' ' GLU . 12.1 pt-20 -42.08 -29.59 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -128.88 68.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 34.7 p -153.39 168.55 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -116.52 38.34 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 31.1 mt -115.9 120.18 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.162 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.14 137.25 32.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.402 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.4 mt -122.64 142.3 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 38.2 m -128.02 137.5 52.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.55 123.67 67.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.48 ' HB2' HD13 ' A' ' 18' ' ' LEU . 25.9 m-85 -107.43 139.14 42.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 113.1 13.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' ' 149' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -154.39 169.91 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.859 0.361 . . . . 0.0 110.903 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -146.74 173.07 12.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.59 81.28 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -71.21 114.87 9.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.31 172.41 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.72 105.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.35 -132.36 4.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -51.11 156.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -51.26 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 83.7 mt -98.64 126.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.061 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.9 m -126.49 139.14 53.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -104.96 123.49 47.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 15' ' ' LYS . 92.9 t -117.9 155.41 19.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.3 tttp -110.12 129.7 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.9 -170.08 17.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -44.67 167.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.686 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 tp -121.05 -24.32 5.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.51 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.1 m-85 -110.6 -31.4 7.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.77 -20.76 45.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -70.9 -60.09 3.14 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.618 0.723 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.5 Cg_endo -69.77 157.45 60.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.335 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.9 tttm -118.82 -27.89 5.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.2 p -129.47 -31.83 2.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.084 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.15 141.64 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -91.17 172.25 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.427 HD23 ' OG ' ' A' ' 113' ' ' SER . 20.1 mt -111.98 154.9 24.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.56 133.96 11.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -147.59 169.61 19.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.6 p -109.21 134.49 51.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.9 pt -145.92 178.03 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.37 157.12 16.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 99.0 mt-10 -53.48 -16.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 35' ' ' CYS . 0.6 OUTLIER -96.4 29.44 2.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG12 ' A' ' 52' ' ' VAL . 26.4 p 35.3 43.46 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -70.53 101.24 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 mtm -140.71 114.63 9.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.43 30.64 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.547 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -151.84 122.86 7.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.35 -136.48 18.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.618 HG13 HD12 ' A' ' 44' ' ' LEU . 10.4 tt -69.74 -26.5 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.792 0.33 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -47.78 -47.9 30.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.102 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.427 HG12 ' HE2' ' A' ' 47' ' ' LYS . 54.0 t -46.5 -42.59 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.618 HD12 HG13 ' A' ' 41' ' ' ILE . 87.1 mt -58.74 -39.45 80.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.605 ' O ' ' CE2' ' A' ' 49' ' ' PHE . 33.7 m-85 -72.05 -16.8 62.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -95.16 -18.92 20.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HE2' HG12 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -99.26 -38.46 8.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 tptt -64.49 -49.9 69.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 45' ' ' PHE . 2.5 p90 -121.76 -41.2 2.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 39.31 92.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.534 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -133.39 37.38 2.0 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.49 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 35' ' ' CYS . 3.2 m -43.67 -49.46 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.776 0.322 . . . . 0.0 111.172 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 52' ' ' VAL . 30.4 tp60 -68.16 -31.4 70.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.533 ' HB3' HD11 ' A' ' 68' ' ' LEU . 43.2 mt-10 -74.73 -28.81 60.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.6 mt -81.51 -49.35 10.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.96 -32.98 55.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -57.54 -17.48 14.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.36 -17.92 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 50.39 44.04 26.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -75.15 160.57 30.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -138.69 167.56 21.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 33.4 p -45.36 141.56 2.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.57 -21.5 29.01 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -101.79 171.56 7.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.634 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.1 p -130.6 139.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.592 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.3 145.71 24.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.1 t -128.71 125.03 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.6 tp -123.24 123.65 41.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.522 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 2.7 tmtt? -85.59 102.35 13.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.616 ' HG3' HD11 ' A' ' 75' ' ' ILE . 19.6 mmm180 -79.04 -173.89 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' C ' ' O ' ' A' ' 70' ' ' ARG . 9.6 t70 -31.74 -39.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' ARG . . . -172.76 36.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 70' ' ' ARG . 5.4 ptp85 -149.01 152.69 36.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.854 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.522 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 41.7 m-85 -104.07 108.87 20.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.929 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.616 HD11 ' HG3' ' A' ' 70' ' ' ARG . 50.9 mt -95.04 138.34 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.132 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -107.0 148.68 28.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.592 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 28.5 m-85 -132.97 94.66 3.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.977 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.78 128.48 36.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 34.8 mt -119.94 110.85 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 HG22 ' HA ' ' A' ' 93' ' ' LEU . 72.1 p -105.23 -35.21 7.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -120.03 172.46 7.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.445 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -105.94 -35.95 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.903 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 83' ' ' ARG . 11.3 mtp-105 -144.98 172.59 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.14 -24.99 65.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 -27.46 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.8 m80 -99.35 130.59 45.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.42 ' N ' ' HE3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -85.25 147.3 47.04 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.908 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.449 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.0 Cg_endo -69.75 136.72 33.74 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.703 2.268 . . . . 0.0 112.374 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 18.9 p -114.81 135.52 54.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.822 ' CE1' HD22 ' A' ' 124' ' ' LEU . 31.0 m-85 -50.58 -40.04 51.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -53.36 -56.19 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -62.67 -40.01 95.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.404 ' HA ' HG22 ' A' ' 80' ' ' THR . 5.8 tp -53.39 -64.61 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -41.07 -56.25 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 78.7 mttt -48.71 -50.12 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 m -49.05 -41.85 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.8 mt -66.96 -39.05 87.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -70.32 -23.07 62.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.08 -31.67 19.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.634 ' HA ' HG11 ' A' ' 65' ' ' VAL . 58.6 ttp -71.08 -59.11 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -48.88 -47.82 42.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 19.4 t -37.07 -45.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.3 t-80 -62.11 -51.88 66.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 91.0 m -39.36 -61.18 0.82 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.2 mp -55.03 -55.77 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 105' ' ' LEU . 29.4 mttm -36.83 -59.62 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.551 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -75.41 -66.2 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.44 34.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.509 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.551 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.0 t -88.7 98.69 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 t -85.33 -21.31 28.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' CG1' ' A' ' 109' ' ' VAL . 47.9 p30 -112.9 155.7 24.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.8 tp -157.43 152.45 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.427 ' OG ' HD23 ' A' ' 27' ' ' LEU . 3.5 p -135.96 134.25 38.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.2 ptp -159.31 129.17 3.35 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.77 -165.38 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.541 ' HE ' HG22 ' A' ' 148' ' ' THR . 0.2 OUTLIER -63.78 129.47 40.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 133' ' ' ILE . 22.4 pt -123.0 135.88 61.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.127 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 139.35 40.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 7.3 t -39.91 106.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.8 123.24 2.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.3 tp -72.78 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.79 0.329 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -66.35 -46.15 77.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -45.88 -68.9 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.822 HD22 ' CE1' ' A' ' 90' ' ' TYR . 44.4 mt -126.28 170.46 11.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 126' ' ' TRP . 13.6 mm100 -144.14 124.6 13.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 65.9 t-105 -36.97 -37.71 0.16 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -49.69 -49.26 48.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -73.83 -58.63 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.2 t -46.06 -64.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 91.2 p -41.35 -43.19 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.41 -43.4 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.685 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -58.34 -41.11 83.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.629 HD11 HD11 ' A' ' 117' ' ' ILE . 59.1 mt -64.17 -29.5 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.7 mt-10 -70.96 -54.57 10.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -62.49 -40.58 97.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 132' ' ' MET . 79.5 t -64.21 -46.29 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 38.5 m-85 -90.83 -1.87 57.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.1 tp10 -52.89 -48.31 67.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -101.11 55.58 0.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.6 p -144.48 175.58 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -118.9 33.23 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.9 mt -114.71 146.24 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 140.3 49.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 55.4 mt -122.19 147.96 26.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 68.3 m -131.78 118.54 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.61 104.03 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -80.13 139.36 36.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.541 HG22 ' HE ' ' A' ' 116' ' ' ARG . 68.2 p -136.19 114.75 11.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.401 ' H ' HD23 ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -124.62 106.15 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.924 0.392 . . . . 0.0 110.819 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.03 104.57 7.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.58 128.88 6.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.6 m -49.06 107.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.8 m -120.45 166.0 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.38 -47.54 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 69.88 -73.22 0.51 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.489 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -47.23 168.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 mpt_? -62.94 -37.98 89.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -102.79 133.7 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -128.63 135.57 49.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -98.01 129.59 44.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.962 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -124.53 143.41 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.127 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 31.9 tttm -103.04 118.58 37.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.87 -172.73 25.64 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.81 164.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.836 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.6 tp -122.4 -31.95 3.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' CE2' HD13 ' A' ' 27' ' ' LEU . 65.9 m-85 -100.0 -20.43 16.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.99 -12.92 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.096 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.498 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.74 -62.69 1.57 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 110.929 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 52.7 Cg_endo -69.83 150.77 68.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -109.22 -30.54 7.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 p -131.22 -30.58 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -44.0 153.69 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -99.47 168.78 9.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 19' ' ' PHE . 17.5 mt -115.74 145.46 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.36 136.27 34.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -147.27 167.05 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.6 p -104.93 135.36 46.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 15.8 pt -150.15 179.98 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.59 178.72 5.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -73.34 -27.51 61.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.55 26.69 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 29.3 p 38.91 43.54 0.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 mmt180 -79.07 89.02 4.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 61.3 mtm -115.75 76.56 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.96 47.31 1.03 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.724 ' O ' HG23 ' A' ' 43' ' ' VAL . . . -125.42 -179.08 4.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.809 0.337 . . . . 0.0 111.108 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -44.16 -95.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.418 ' HA ' HD12 ' A' ' 44' ' ' LEU . 5.1 tt -60.3 -26.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.342 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.462 ' HB3' ' HB3' ' A' ' 39' ' ' ALA . . . -59.89 -39.48 85.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 39' ' ' ALA . 41.8 t -68.08 -41.49 84.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.175 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' ILE . 80.3 mt -53.54 -25.38 16.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.432 ' CE1' ' CE2' ' A' ' 19' ' ' PHE . 30.2 m-85 -89.41 -46.42 8.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.3 ttpt -70.44 -18.85 63.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.7 ptmm? -90.42 -37.25 14.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.77 -54.09 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.859 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 1.9 m-85 -109.12 -50.29 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.94 31.15 77.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.522 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 38.29 2.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.547 HG23 ' N ' ' A' ' 53' ' ' GLN . 23.3 m -48.52 -49.76 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 111.106 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.547 ' N ' HG23 ' A' ' 52' ' ' VAL . 7.3 tp-100 -59.56 -33.97 72.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.9 mm-40 -71.62 -45.87 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 62.0 mt -61.64 -39.84 92.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.8 mt -65.95 -35.85 81.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 53' ' ' GLN . 16.7 m-80 -55.58 -18.83 8.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.25 -23.53 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 53.05 45.12 29.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -76.19 156.31 33.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -129.2 172.07 11.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -49.47 137.62 14.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.42 -13.65 66.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -103.77 -176.77 3.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.696 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.9 p -143.99 141.39 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.32 137.09 39.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.059 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.555 HG22 ' CD1' ' A' ' 76' ' ' TYR . 50.8 t -117.79 132.36 67.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -128.36 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.943 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -93.58 96.94 10.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.465 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.1 mpt_? -143.39 135.99 27.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 62.87 45.57 5.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 48.63 53.38 17.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -171.61 156.8 4.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' HB3' HG13 ' A' ' 67' ' ' VAL . 30.9 m-85 -105.2 107.96 19.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.859 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 41.6 mt -85.41 128.12 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.555 ' CD1' HG22 ' A' ' 67' ' ' VAL . 79.1 m-85 -100.43 148.36 24.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -134.63 99.23 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.41 119.85 11.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.01 106.55 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 p -102.03 -47.33 4.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 -176.14 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -50.06 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -141.45 162.12 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.21 -32.35 16.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 97.8 p -53.98 -36.72 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -97.3 135.4 39.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.32 147.87 51.27 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.569 0.7 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.3 Cg_endo -69.81 147.69 63.13 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -121.1 163.65 18.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.571 ' CE1' HD22 ' A' ' 124' ' ' LEU . 24.7 m-85 -76.49 -40.93 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -52.53 -53.23 48.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.1 -32.62 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.06 -67.16 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -38.3 -49.87 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.0 mmtp -57.4 -47.38 81.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -54.62 -34.05 61.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.1 mt -78.19 -30.67 49.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.39 -26.07 51.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.83 20.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.696 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.5 ttp -68.12 -57.27 6.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.761 ' O ' HD12 ' A' ' 105' ' ' LEU . 31.7 pttt -48.12 -48.19 34.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.6 t -36.99 -43.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.578 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.0 t-80 -63.74 -56.69 13.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 103' ' ' HIS . 62.4 m -36.13 -57.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -61.01 -55.95 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 33.4 mtpt -41.61 -49.4 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.578 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 5.3 m-80 -84.86 -71.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.22 38.01 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 73.3 t -94.17 94.67 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.94 0.4 . . . . 0.0 111.171 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.8 t -85.86 -7.61 58.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.26 140.61 52.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' CE ' ' A' ' 114' ' ' MET . 11.6 tp -149.92 149.93 31.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.473 ' OG ' HD23 ' A' ' 27' ' ' LEU . 88.6 p -127.72 136.25 51.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 112' ' ' LEU . 17.5 ptp -158.78 121.03 1.95 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -167.1 0.21 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 -64.47 125.93 26.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -125.19 145.77 31.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 127.07 54.85 0.14 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 17.3 p -53.32 137.73 34.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.49 ' O ' ' N ' ' A' ' 123' ' ' ARG . . . 98.35 75.59 1.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.429 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 121' ' ' LEU . 1.6 tm? -38.94 -51.21 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.805 0.336 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -70.13 -29.35 66.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 120' ' ' GLY . 23.5 mmm180 -75.76 -74.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.571 HD22 ' CE1' ' A' ' 90' ' ' TYR . 14.4 mt -111.36 151.96 27.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -130.32 122.79 28.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 60.4 t-105 -37.47 -36.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -51.82 -49.93 61.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -67.57 -56.45 9.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 130' ' ' SER . 99.7 t -50.44 -62.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 129' ' ' VAL . 54.3 p -36.61 -43.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.88 -52.66 62.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.534 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -45.2 -36.49 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 57.9 mt -70.78 -32.74 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -74.65 -43.18 56.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -71.75 -38.97 70.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 132' ' ' MET . 41.9 t -68.37 -46.78 80.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.127 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.7 m-85 -87.84 -3.61 58.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.23 -34.54 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -118.15 58.78 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 71.9 p -144.88 177.01 9.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.142 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -124.0 30.99 5.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -111.47 129.75 66.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -99.59 125.09 45.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.418 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.0 mt -104.7 142.08 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.172 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 87.8 m -125.79 132.58 52.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 92.4 t -104.6 115.64 46.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -91.72 135.7 33.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 73.8 p -138.53 118.77 13.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -137.26 124.68 22.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 p -123.5 157.24 34.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.97 -128.81 2.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.461 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t 55.99 42.6 28.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.914 0.388 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -121.94 122.36 39.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.836 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.38 -134.56 2.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.449 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 120.48 -145.81 17.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 10' ' ' ARG . 37.2 m -75.08 133.26 41.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.824 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 9' ' ' SER . 23.7 mmt85 -37.9 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 62.6 mt -75.52 126.16 35.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.1 m -121.95 136.73 54.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -110.27 117.76 34.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -119.29 151.0 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -103.27 119.69 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.73 -176.91 22.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.453 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -41.4 160.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.764 ' O ' HD12 ' A' ' 18' ' ' LEU . 3.2 tp -115.84 -32.61 5.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.522 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 7.3 m-85 -100.19 -26.72 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.24 -26.1 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.07 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.64 -60.14 10.73 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.77 171.29 14.74 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -125.18 -40.16 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.4 p -126.59 -26.5 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -43.6 139.58 2.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.511 ' HB2' HD12 ' A' ' 112' ' ' LEU . 52.9 m -85.15 170.21 13.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 75' ' ' ILE . 14.2 mt -112.27 155.44 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.14 112.3 4.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -128.05 163.5 24.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.7 m -106.48 130.44 54.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -139.34 178.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.145 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 p -95.89 157.08 16.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -48.45 -35.22 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.09 -29.63 69.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 64.3 m 62.52 45.99 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -114.49 33.67 5.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.578 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 1.3 ptt? -42.2 127.65 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -149.65 28.23 1.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.449 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -142.44 163.43 32.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 41.1 -149.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 tt -67.1 -22.84 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 0.0 111.104 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.578 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -47.08 -29.17 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 38' ' ' GLY . 51.4 t -71.21 -52.54 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.0 mt -41.66 -47.64 3.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -60.97 -35.69 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' CD ' ' C ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -72.36 -22.6 61.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' NZ ' ' CG1' ' A' ' 43' ' ' VAL . 23.1 mttp -85.28 -46.87 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' NH2' ' A' ' 70' ' ' ARG . 2.2 mptp? -80.35 -53.53 6.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -113.0 55.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -47.49 -75.57 0.18 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 36.02 34.17 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 56' ' ' LEU . 13.0 m -56.66 -30.59 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.138 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -88.6 -26.5 21.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 68' ' ' LEU . 20.0 mt-10 -74.12 -29.93 62.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.9 mt -81.95 -39.58 23.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 52' ' ' VAL . 20.5 mt -61.8 -35.13 77.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -51.9 -35.95 47.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.81 -25.78 67.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 53.77 51.42 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.606 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 28.3 mmtt -63.0 -175.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' HD3' ' CB ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -150.99 179.03 8.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.7 m -65.71 112.44 3.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.69 -17.17 25.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.433 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.456 ' CB ' ' HD3' ' A' ' 61' ' ' LYS . 8.5 tp10 -100.46 157.31 16.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.458 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -117.91 153.21 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.606 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -110.72 158.34 18.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 55.5 t -136.84 133.81 48.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.679 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -135.18 117.58 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.0 tptp -85.48 96.57 9.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH2' ' O ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -114.83 -71.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.6 t70 -89.88 73.94 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.36 29.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.474 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptp180 -147.81 171.46 15.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 25.0 m-85 -114.28 103.86 11.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 27' ' ' LEU . 32.7 mt -80.09 131.25 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -99.81 138.87 36.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -124.96 94.82 4.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.56 119.43 12.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 60' ' ' LYS . 61.0 mt -107.72 96.65 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.2 p -97.92 -36.82 10.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.407 ' NZ ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -106.41 162.02 14.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' HB2' ' ND1' ' A' ' 86' ' ' HIS . 69.7 mttt -103.95 -29.49 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.856 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' ' CE1' ' A' ' 86' ' ' HIS . 9.8 ptp180 -174.24 150.21 1.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -33.46 -50.32 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 40.8 t -40.94 -47.99 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 83' ' ' ARG . 2.5 m170 -89.12 154.09 20.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -113.97 151.51 44.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.478 ' HG2' HD11 ' A' ' 124' ' ' LEU . 54.3 Cg_endo -69.81 156.53 62.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 p -133.32 131.94 40.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -43.28 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.933 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -66.79 -53.23 35.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' HA ' ' CE ' ' A' ' 95' ' ' LYS . 67.5 m-20 -58.91 -49.88 76.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.4 tp -43.62 -66.34 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.452 ' NE2' ' OE2' ' A' ' 135' ' ' GLU . 7.5 tt0 -35.06 -59.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 92' ' ' ASN . 34.9 mtmt -47.04 -58.19 4.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 m -42.8 -46.75 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.5 mt -62.41 -36.8 83.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -69.88 -23.64 63.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.97 -33.2 21.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.458 ' HA ' HG11 ' A' ' 65' ' ' VAL . 31.4 ttp -66.7 -60.13 2.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.83 ' O ' HD12 ' A' ' 105' ' ' LEU . 12.4 pttp -49.25 -51.46 33.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 5.5 t -34.56 -44.48 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -66.01 -53.48 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 61.8 m -40.43 -55.89 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.83 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -60.0 -53.97 51.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 105' ' ' LEU . 32.5 mttp -38.04 -56.3 1.17 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.877 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -83.81 -66.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 147.43 37.74 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.533 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.877 HG23 ' OD1' ' A' ' 107' ' ' ASN . 59.7 t -85.25 103.44 12.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 111.131 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.471 HG23 ' OD1' ' A' ' 111' ' ' ASP . 11.1 t -95.35 -25.5 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.471 ' OD1' HG23 ' A' ' 110' ' ' THR . 39.9 m-20 -104.73 125.91 51.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.3 tp -138.92 156.23 47.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -146.06 139.02 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 17.5 ptp -152.97 137.54 10.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.78 -164.91 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.629 2.219 . . . . 0.0 112.361 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -78.11 120.83 23.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.2 pt -118.68 142.34 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 141.66 48.72 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.2 t -44.92 151.51 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.51 102.71 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -53.58 -46.1 70.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.804 0.335 . . . . 0.0 110.879 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 123' ' ' ARG . 9.1 t0 -91.09 -56.22 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 123' ' ' ARG . 0.9 OUTLIER -34.02 -71.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 88' ' ' PRO . 58.0 mt -115.53 162.63 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -142.02 134.31 27.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 64.3 t-105 -49.11 -41.57 36.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -47.12 -40.24 15.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -76.58 -51.41 11.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 130' ' ' SER . 76.4 t -55.02 -61.91 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 129' ' ' VAL . 93.0 p -37.25 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.83 -49.09 74.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -32.15 31.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.6 mt -72.22 -25.95 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -86.81 -33.02 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 94' ' ' GLN . 1.4 pp20? -81.46 -18.99 43.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.6 t -89.7 -41.92 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 144' ' ' ILE . 28.0 m-85 -92.21 -2.86 56.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -42.25 -35.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.09 66.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 41.7 p -151.47 171.71 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -120.27 35.68 4.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 14.2 mt -115.5 137.63 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 15.6 mmmt -101.02 141.69 33.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.447 HD11 ' CE2' ' A' ' 137' ' ' PHE . 48.8 mt -124.8 149.75 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 17.2 m -137.8 133.47 34.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 94.2 t -108.88 122.11 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -106.2 123.85 48.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 61.8 p -119.49 118.7 31.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.162 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.8 m -44.66 154.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.904 0.383 . . . . 0.0 110.855 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -66.94 105.97 1.78 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.7 118.27 2.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -115.77 83.88 2.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.5 m -165.72 129.49 2.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.61 -39.82 0.17 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.479 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.9 50.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 t -44.82 126.02 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.5 mmt-85 -40.47 -43.11 1.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.94 133.74 31.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.4 m -139.61 132.88 29.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.162 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -94.31 120.47 34.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -116.46 150.67 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.173 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 tttm -108.24 123.77 49.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.72 -167.22 22.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.53 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.4 162.35 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 147' ' ' TYR . 14.4 tp -116.91 -35.47 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -94.86 -35.13 12.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.82 -26.66 54.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.485 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -63.46 -60.26 9.82 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.626 0.727 . . . . 0.0 110.928 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.82 172.21 13.11 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -123.6 -40.98 2.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 25' ' ' ASP . 69.3 p -127.68 -26.98 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.174 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -34.88 142.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.56 ' HB2' HD12 ' A' ' 112' ' ' LEU . 12.4 m -92.16 164.17 13.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.9 mt -112.62 150.58 31.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -151.23 111.49 4.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 47.5 t-80 -127.29 170.97 11.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 24.8 p -105.13 133.97 49.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 38.5 pt -136.48 177.53 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' ASP . 5.8 m -103.82 140.82 37.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.839 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 32' ' ' SER . 6.2 mm-40 -34.51 -33.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 32' ' ' SER . 4.4 m-20 -82.28 40.66 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' ASP . 26.7 p 33.54 36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 34' ' ' ASP . 5.5 mmm180 -69.74 99.14 1.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.444 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 66.1 mtm -134.54 36.7 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.828 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.4 54.31 0.56 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.61 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -160.36 125.68 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.066 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.37 -149.33 32.09 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' ' 115' ' ' PRO . 8.5 tt -51.92 -20.61 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.333 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -54.32 -24.42 19.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.084 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' HA ' ' CG ' ' A' ' 46' ' ' LYS . 86.9 t -75.72 -54.31 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 ' HA ' ' CD ' ' A' ' 47' ' ' LYS . 54.6 mt -41.81 -25.17 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.603 ' O ' ' CE1' ' A' ' 49' ' ' PHE . 24.9 m-85 -82.41 -58.96 2.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.483 ' CG ' ' HA ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -60.99 -21.53 63.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -91.11 -37.29 13.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' CG ' ' O ' ' A' ' 44' ' ' LEU . 10.6 mmmt -63.74 -45.92 87.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.603 ' CE1' ' O ' ' A' ' 45' ' ' PHE . 21.7 p90 -119.1 -55.79 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' CD2' ' A' ' 49' ' ' PHE . . . 67.14 83.59 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.99 36.43 2.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.584 HG23 ' N ' ' A' ' 53' ' ' GLN . 31.0 m -47.33 -51.24 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.781 0.324 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.584 ' N ' HG23 ' A' ' 52' ' ' VAL . 10.7 tp60 -58.14 -31.7 67.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' HB3' HD11 ' A' ' 68' ' ' LEU . 34.1 mm-40 -74.26 -39.23 63.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.645 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.2 mt -69.35 -47.84 63.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.2 mt -57.98 -34.7 70.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -55.51 -29.99 59.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -70.56 -16.48 62.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 60.6 mt-30 48.41 46.55 20.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -74.78 158.94 32.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -132.6 159.7 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 84.1 p -42.31 142.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.37 -18.87 50.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -102.88 -175.69 2.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.0 p -142.34 138.01 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.1 151.51 19.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.0 t -128.3 136.35 60.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.0 tp -137.7 138.85 39.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -101.3 96.9 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -143.35 146.33 33.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 57.55 39.65 27.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.9 55.66 19.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.504 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -174.59 161.78 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -102.73 109.36 20.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 63.2 mt -90.59 129.27 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.103 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -101.0 150.65 22.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.645 ' CE1' HD21 ' A' ' 55' ' ' LEU . 7.8 m-85 -134.04 86.34 2.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.19 122.52 14.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 17.2 mt -109.06 115.5 49.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 39.8 p -119.07 -37.13 3.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 164.75 12.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' HG2' ' A' ' 83' ' ' ARG . 23.9 mtpp -107.44 -42.99 4.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.412 ' HG2' ' C ' ' A' ' 82' ' ' LYS . 25.1 mmm-85 -143.12 144.34 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -37.46 -46.65 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.068 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 t -41.11 -44.78 2.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.816 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.83 136.89 32.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' HD2' ' NH1' ' A' ' 123' ' ' ARG . 6.6 mmpt? -92.38 150.16 39.59 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.6 0.715 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.69 28.61 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.727 2.285 . . . . 0.0 112.336 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 27.7 p -99.06 175.33 5.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.21 -34.34 32.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 22.8 tt0 -62.22 -67.59 0.4 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -41.19 -44.95 2.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.0 tp -55.68 -69.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.81 -57.2 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 91' ' ' GLU . 29.7 mmmt -49.31 -49.09 45.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.5 m -53.13 -52.72 57.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.2 mt -52.98 -31.05 38.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -75.17 -39.09 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.78 60.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.716 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.8 ttp -75.04 -65.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.672 ' O ' HD12 ' A' ' 105' ' ' LEU . 13.3 pttp -43.15 -51.14 6.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.419 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 12.6 t -36.93 -43.99 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.535 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 45.4 t-80 -64.85 -41.65 95.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 91.8 m -52.43 -59.42 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.807 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.9 mp -55.48 -52.05 64.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -42.98 -56.17 3.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.535 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 46.2 m-80 -78.27 -68.08 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.94 43.85 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.507 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.1 t -100.31 110.95 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 111.132 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.0 t -105.9 -26.56 11.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 25' ' ' ASP . 1.1 p30 -100.46 115.16 29.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 26' ' ' SER . 10.7 tp -135.62 153.74 51.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 32.6 p -137.07 140.31 41.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -155.17 122.44 2.79 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 110.902 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.473 ' HG3' HD13 ' A' ' 41' ' ' ILE . 54.5 Cg_endo -69.7 -167.38 0.22 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 34.3 mtp180 -70.15 125.78 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.1 pt -114.9 135.16 55.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -169.97 -42.28 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.469 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m 57.16 47.56 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 157.69 149.29 5.4 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -84.81 -54.35 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.826 0.346 . . . . 0.0 110.896 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.7 24.72 10.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.4 ' NH1' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -86.79 -74.5 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 33.5 mt -117.2 177.67 4.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -129.59 122.25 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.49 ' CE2' ' HB2' ' A' ' 130' ' ' SER . 70.7 t-105 -42.77 -36.75 1.55 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -47.4 -48.37 26.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -68.58 -57.64 5.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 99.5 t -48.7 -63.62 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.49 ' HB2' ' CE2' ' A' ' 126' ' ' TRP . 43.1 t -42.38 -43.27 3.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.857 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.6 -42.36 96.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -43.88 85.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.0 mt -63.08 -33.08 58.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.5 mt-10 -69.36 -49.53 54.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.54 -42.53 82.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.1 t -63.18 -44.37 99.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.595 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 60.3 m-85 -94.59 -2.12 52.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 7.5 tt0 -42.19 -40.57 2.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.19 66.42 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.098 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.0 p -144.64 172.42 13.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.161 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -120.7 39.46 3.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.849 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 60.2 mt -119.74 125.88 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -88.08 130.15 35.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.595 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 26.0 mt -118.22 145.38 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.7 m -134.23 139.81 46.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 96.8 t -117.36 110.75 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.662 ' HB2' HD13 ' A' ' 18' ' ' LEU . 35.0 m-85 -94.19 131.32 39.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 32.3 p -127.01 104.52 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.458 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.4 pt? . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -147.64 137.92 23.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -55.67 141.03 39.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.21 170.61 15.11 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -131.6 120.54 22.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.921 0.391 . . . . 0.0 110.83 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.9 t -123.04 92.72 3.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.41 -55.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -172.13 -126.62 0.9 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.512 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.7 t -44.11 138.59 2.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.7 mmt-85 -40.18 -45.41 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.1 mt -78.36 126.26 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.4 m -126.03 135.12 51.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -94.48 126.43 39.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.45 145.62 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -104.29 119.35 38.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.85 -173.41 22.39 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.454 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -41.87 157.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 11.9 tp -113.84 -40.74 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.575 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 2.1 m-85 -96.28 -38.25 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.9 -29.18 64.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.073 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.499 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.96 -60.2 11.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.75 177.06 5.95 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -126.04 -41.1 1.96 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.76 -25.65 3.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -43.14 133.88 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.1 m -86.93 178.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.1 mt -122.12 145.46 48.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -145.25 119.58 9.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.084 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.533 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -144.2 170.78 15.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 15.8 p -103.86 143.84 32.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.533 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 12.6 pt -148.14 -179.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.1 p -96.62 150.54 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -50.65 -51.39 49.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.96 -24.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.2 m 53.03 44.69 30.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -102.48 81.18 2.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -59.5 149.96 28.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.27 32.74 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.42 124.99 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.16 -144.28 33.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.6 tt -76.74 -18.93 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.327 . . . . 0.0 111.096 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -48.71 -29.85 4.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 99.1 t -55.02 -60.98 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.8 mt -43.83 -43.53 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 49.4 m-85 -56.99 -39.29 74.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -66.79 -25.41 66.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -86.52 -43.76 12.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -78.92 -53.46 7.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CD1' HD11 ' A' ' 75' ' ' ILE . 2.3 m-85 -118.63 52.32 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -67.26 90.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.15 45.08 0.95 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 m -53.12 -40.08 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.3 tp60 -67.62 -34.64 77.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.727 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.5 mm-40 -67.99 -36.53 80.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD21 ' CE1' ' A' ' 77' ' ' TYR . 24.4 mt -70.91 -43.68 67.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 mt -58.97 -35.64 73.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -54.95 -20.12 8.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -77.52 -28.93 52.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 60.19 45.47 11.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -79.41 169.26 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -145.43 166.36 25.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 51.5 m -43.21 142.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 90.16 -18.33 48.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.32 175.49 5.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.859 0.361 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.617 HG11 ' HA ' ' A' ' 100' ' ' MET . 12.0 p -134.41 132.51 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.02 142.33 27.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.48 134.13 65.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.727 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.7 tp -131.87 125.28 31.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' CE1' ' A' ' 74' ' ' TYR . 1.3 tmtt? -89.23 103.09 15.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 71' ' ' ASP . 3.4 mmm180 -134.87 163.45 29.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.464 ' C ' ' O ' ' A' ' 70' ' ' ARG . 1.0 OUTLIER 33.64 41.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.22 50.45 64.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 70' ' ' ARG . 6.7 ptp180 -166.01 154.48 11.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CE1' ' HG2' ' A' ' 69' ' ' LYS . 13.6 m-85 -100.38 121.41 41.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.585 HD11 ' CD1' ' A' ' 49' ' ' PHE . 76.2 mt -105.37 137.17 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -104.39 147.47 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.406 ' CE1' HD21 ' A' ' 55' ' ' LEU . 11.6 m-85 -132.11 89.17 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.905 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.31 112.75 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.4 mt -100.56 115.79 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 37.0 p -119.67 -42.51 2.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -108.17 139.68 42.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.3 ttmm -77.21 -45.08 27.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.488 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 27.7 mtt85 -139.71 145.87 38.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -35.29 -60.16 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.7 t -34.26 -43.25 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.834 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 3.5 m80 -87.4 117.49 26.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -76.63 151.08 82.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.552 0.692 . . . . 0.0 110.883 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 139.11 39.19 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.66 2.24 . . . . 0.0 112.321 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.1 p -107.83 140.64 40.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.127 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' CE1' HD22 ' A' ' 124' ' ' LEU . 26.3 m-85 -55.71 -41.34 73.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -50.52 -56.3 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -61.91 -41.93 98.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 94' ' ' GLN . 24.6 tp -52.18 -64.97 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 93' ' ' LEU . 9.7 tt0 -36.66 -46.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 98' ' ' GLU . 85.5 mttt -62.83 -57.21 11.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.1 p -42.3 -39.28 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.1 -33.6 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.3 mt-10 -75.2 -27.48 59.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.05 -30.44 24.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.617 ' HA ' HG11 ' A' ' 65' ' ' VAL . 46.9 ttp -70.42 -59.05 3.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.52 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.3 pttt -46.57 -51.26 15.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' LYS . 3.0 t -35.03 -48.25 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.461 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 12.2 t-80 -57.06 -48.81 77.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 101' ' ' LYS . 69.9 m -45.41 -57.96 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.662 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.9 mp -57.47 -53.96 52.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 53.0 mttt -40.69 -57.44 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -78.68 -67.37 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.02 40.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -92.37 96.17 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.0 t -85.26 -39.8 17.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -96.25 130.76 43.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.6 tp -140.36 155.13 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.4 m -136.98 142.68 42.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.4 ' O ' HG22 ' A' ' 146' ' ' VAL . 21.0 ptp -162.02 127.06 2.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.535 0.683 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -169.09 0.31 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.69 ' CZ ' HG21 ' A' ' 148' ' ' THR . 13.2 mtt85 -74.19 129.54 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 36.0 pt -123.71 147.19 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 43.44 61.85 2.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 11.1 t -92.81 -46.43 7.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.811 0.338 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.46 114.18 3.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.453 ' HG ' ' NE2' ' A' ' 125' ' ' GLN . 5.3 mp -42.51 -45.68 4.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.79 0.329 . . . . 0.0 110.887 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -39.67 -49.78 2.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -91.83 -73.55 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.428 HD22 ' CE1' ' A' ' 90' ' ' TYR . 62.0 mt -138.45 -178.05 5.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.453 ' NE2' ' HG ' ' A' ' 121' ' ' LEU . 38.9 mt-30 -135.7 124.96 24.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.442 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 47.4 t-105 -46.66 -46.24 19.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.83 -40.95 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -74.73 -56.21 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 132' ' ' MET . 85.4 t -51.3 -67.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 129' ' ' VAL . 52.8 p -35.21 -41.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.17 -46.12 88.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -53.95 -37.08 63.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.6 mt -69.28 -32.71 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.95 -46.32 68.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -73.71 -28.72 61.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 132' ' ' MET . 12.4 t -77.16 -41.38 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 101' ' ' LYS . 35.1 m-85 -95.18 -2.38 49.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -42.27 -34.94 0.86 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 140' ' ' THR . . . -115.76 70.64 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 139' ' ' ALA . 47.6 p -159.7 175.84 12.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.153 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -123.53 34.38 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.9 mt -106.46 140.59 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.04 133.64 53.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 21.1 mt -123.95 148.75 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.088 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 75.4 m -136.25 130.74 33.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 114' ' ' MET . 89.1 t -102.05 121.26 52.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.522 ' HB2' HD13 ' A' ' 18' ' ' LEU . 26.3 m-85 -104.62 139.66 39.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.69 HG21 ' CZ ' ' A' ' 116' ' ' ARG . 57.3 p -136.65 118.89 15.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.15 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m 54.02 41.7 31.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -121.06 158.72 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.12 -173.97 19.43 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -84.69 107.62 16.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.876 0.369 . . . . 0.0 110.837 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -108.41 100.76 10.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.835 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.96 -170.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.539 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.36 -137.85 22.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 74.1 m -62.9 162.14 11.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -89.01 -53.23 4.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.83 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.5 mt -85.55 122.52 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 63.3 m -108.97 131.09 55.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -101.1 125.5 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.451 HG12 ' N ' ' A' ' 15' ' ' LYS . 91.9 t -121.83 154.73 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 14' ' ' VAL . 2.7 ttmp? -112.4 116.39 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 138.32 -168.12 24.74 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.03 157.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 41' ' ' ILE . 7.3 tp -115.12 -40.03 3.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -93.11 -39.47 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.45 -29.8 65.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.32 -60.14 11.58 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.581 0.705 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.79 176.33 6.93 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -130.19 -40.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 t -128.02 -8.83 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.192 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.29 138.12 55.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -85.66 168.52 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.601 HD12 ' CE1' ' A' ' 49' ' ' PHE . 57.5 mt -110.62 139.8 45.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.664 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -130.34 116.23 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.137 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.453 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 51.4 t60 -139.92 160.08 40.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.453 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 26.4 p -105.76 128.59 53.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 35' ' ' CYS . 15.4 pt -136.2 -177.45 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 p -95.38 167.26 11.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -61.39 -38.19 86.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.53 19.68 1.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' HA ' HD12 ' A' ' 31' ' ' ILE . 88.8 m 47.09 45.73 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 36' ' ' ARG . 6.0 mmm180 -71.57 79.57 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' CB ' ' HD2' ' A' ' 46' ' ' LYS . 73.1 mtm -114.29 129.73 56.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 168.79 33.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.25 124.95 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 111.075 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.46 -155.58 47.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 44' ' ' LEU . 12.7 tt -57.55 -18.57 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 111.114 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -30.34 69.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.45 HG22 ' HA2' ' A' ' 38' ' ' GLY . 96.2 t -65.38 -51.93 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 41' ' ' ILE . 30.1 mt -48.04 -36.83 13.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -59.57 -33.9 72.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HD2' ' CB ' ' A' ' 37' ' ' MET . 22.6 mtpp -72.17 -24.91 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -85.76 -46.74 10.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -75.77 -53.03 9.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 1.009 ' CD2' HD11 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -121.98 54.27 1.17 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.83 81.08 0.12 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.447 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.61 58.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.8 m -70.03 -44.61 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 52' ' ' VAL . 63.9 tp60 -62.44 -30.13 71.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.1 mm-40 -72.7 -36.13 67.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD11 ' CZ ' ' A' ' 77' ' ' TYR . 71.3 mt -72.73 -49.66 29.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.4 mt -52.01 -36.44 50.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -55.15 -31.93 61.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 73.0 mt-30 -63.07 -23.97 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 54.25 47.59 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 31.3 mmtt -77.47 -178.19 5.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -158.88 166.48 31.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.3 p -41.25 131.97 2.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.37 -15.2 63.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -104.77 160.76 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.762 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -126.51 135.89 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.077 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.45 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -98.96 126.74 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.936 HG11 ' CE1' ' A' ' 103' ' ' HIS . 73.0 t -110.51 121.02 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD11 ' HB3' ' A' ' 54' ' ' GLU . 10.1 tp -118.44 133.11 56.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 93.96 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 71' ' ' ASP . 1.9 mmp_? -129.72 163.12 26.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 70' ' ' ARG . 6.9 t0 35.8 44.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.04 46.57 69.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 73' ' ' ARG . 2.9 ptp180 -166.71 152.08 7.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.869 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.502 ' HB3' HG13 ' A' ' 67' ' ' VAL . 11.5 m-85 -93.64 105.68 17.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.009 HD11 ' CD2' ' A' ' 49' ' ' PHE . 50.4 mt -84.63 128.81 38.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -96.95 142.92 28.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.582 ' CZ ' HD11 ' A' ' 55' ' ' LEU . 79.4 m-85 -128.37 85.53 2.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.4 mt -58.83 108.3 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.0 mt -96.86 113.08 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.8 p -116.79 -38.72 3.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -117.66 151.72 36.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -82.04 -47.47 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.408 ' HG2' ' ND1' ' A' ' 86' ' ' HIS . 5.0 ptp180 -153.26 161.88 41.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -38.66 -56.62 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 84' ' ' ALA . 1.8 m -36.86 -44.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.408 ' ND1' ' HG2' ' A' ' 83' ' ' ARG . 3.6 m80 -99.55 131.86 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 12.0 mmmm -106.27 145.92 31.93 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.595 0.712 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 172.55 12.46 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 90' ' ' TYR . 11.7 p -141.77 136.87 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.472 ' CD1' HD22 ' A' ' 124' ' ' LEU . 21.1 m-85 -35.05 -36.91 0.06 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' THR . 4.4 tp10 -59.34 -52.73 64.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 89' ' ' THR . 95.1 m-20 -64.16 -52.22 60.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 tp -41.06 -57.23 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -41.55 -52.84 3.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.83 -55.27 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 24.9 p -43.77 -44.0 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.28 -39.56 94.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.29 -38.63 90.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.46 -38.31 80.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.081 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.762 ' HA ' HG11 ' A' ' 65' ' ' VAL . 55.0 ttp -61.16 -68.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.793 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.1 pttp -41.71 -46.53 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.3 t -40.29 -43.51 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.936 ' CE1' HG11 ' A' ' 67' ' ' VAL . 3.1 t60 -64.92 -53.06 52.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.803 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.454 ' O ' ' N ' ' A' ' 108' ' ' GLY . 27.8 m -38.81 -61.37 0.74 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.0 mp -59.22 -53.43 58.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -43.32 -50.72 6.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -84.74 -67.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 145.78 51.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.513 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.4 129.82 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.7 p -119.99 -14.6 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -117.47 124.75 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 tp -134.58 138.76 44.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.6 t -124.77 138.16 54.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.664 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 23.8 ptp -159.99 127.99 2.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.568 0.699 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.43 ' HG3' HD13 ' A' ' 41' ' ' ILE . 53.2 Cg_endo -69.8 -166.73 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.67 2.247 . . . . 0.0 112.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 mtm180 -72.35 125.0 26.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.3 pt -126.87 149.03 31.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 126' ' ' TRP . . . 72.02 61.25 3.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.0 p -167.46 143.51 4.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.76 -100.29 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 121' ' ' LEU . 0.6 OUTLIER -51.45 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.15 168.98 2.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -86.65 -52.46 5.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 90' ' ' TYR . 88.8 mt -45.8 170.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -128.01 127.58 43.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.441 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 69.4 t-105 -46.89 -45.43 20.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -39.26 -48.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -78.35 -46.29 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 132' ' ' MET . 60.5 t -49.99 -63.59 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 77.0 p -39.0 -42.93 0.92 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.12 -44.73 94.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.124 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.432 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -54.84 -33.59 61.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.05 -38.66 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -66.12 -44.96 82.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.2 -41.11 70.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.449 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 14.3 t -65.14 -43.91 95.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -88.68 -2.35 58.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -44.34 -33.16 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.46 63.57 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 62.9 p -148.38 178.54 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -124.38 33.05 5.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.416 HD11 ' HB2' ' A' ' 104' ' ' CYS . 21.0 mt -111.17 138.48 39.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 66.8 mttt -108.75 125.44 51.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 33.3 mt -107.05 148.33 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.2 m -137.64 123.46 20.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 58.7 t -99.92 126.97 53.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -109.43 143.0 39.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 69.0 p -138.84 126.22 21.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.19 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.5 pt? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -113.11 -43.86 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 0.0 110.852 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -79.03 94.44 5.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 -82.66 0.71 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.51 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -84.42 149.63 25.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 0.0 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 t -96.17 130.29 43.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.22 -85.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.43 -177.53 6.7 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.449 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 p -91.89 125.93 36.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -43.59 -41.84 4.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -85.44 132.04 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.179 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -119.38 145.36 46.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -110.97 125.18 53.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 15' ' ' LYS . 80.9 t -120.02 152.58 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 14' ' ' VAL . 23.5 ttmt -106.35 120.54 42.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.01 -172.46 22.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.515 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.34 169.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.829 0.347 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.696 ' O ' HD12 ' A' ' 18' ' ' LEU . 4.3 tp -125.26 -28.14 3.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -101.15 -36.28 9.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.43 -28.12 59.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.483 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.69 -60.49 9.74 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.609 0.719 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 52.8 Cg_endo -69.87 174.64 9.3 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.318 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -128.75 -39.44 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -127.72 -26.43 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.34 140.16 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -88.55 163.79 15.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 77.7 mt -113.66 153.96 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.921 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -140.57 126.56 19.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' CD2' HG23 ' A' ' 31' ' ' ILE . 43.8 t60 -140.18 158.95 43.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' SG ' HD12 ' A' ' 78' ' ' LEU . 38.7 m -104.23 126.45 51.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.546 HG23 ' CD2' ' A' ' 29' ' ' HIS . 10.4 pt -135.65 -175.66 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.48 151.1 26.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -45.0 -25.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 35' ' ' CYS . 2.0 m-20 -93.02 32.47 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' C ' ' O ' ' A' ' 34' ' ' ASP . 31.9 p 36.65 45.01 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -65.81 81.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.8 mtm -121.85 108.1 13.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.659 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . 178.58 37.4 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -152.62 125.45 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.39 -149.3 51.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' N ' ' A' ' 42' ' ' ALA . 12.8 tt -56.67 -41.92 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 111.134 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -34.78 -43.37 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.659 HG22 ' HA2' ' A' ' 38' ' ' GLY . 93.6 t -51.39 -57.16 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD12 HG13 ' A' ' 41' ' ' ILE . 52.3 mt -41.88 -48.43 4.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.499 ' HA ' ' HZ2' ' A' ' 48' ' ' LYS . 42.6 m-85 -55.8 -34.56 65.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' VAL . 25.9 ttpt -71.38 -17.11 62.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -95.0 -41.92 8.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HZ2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.91 -49.39 70.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' A' ' 75' ' ' ILE . 2.1 m-85 -115.66 -57.8 2.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 72.37 -86.72 0.5 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 34.26 39.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.7 m -56.95 -28.02 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.798 0.332 . . . . 0.0 111.145 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -84.22 -31.11 25.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.12 -41.54 77.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 37.7 mt -65.83 -51.7 56.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -51.54 -36.89 46.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -56.25 -33.95 65.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.489 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 34.8 mt-30 -64.02 -20.19 65.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 46.13 49.48 12.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 33.9 mmtt -61.11 177.25 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.64 151.17 46.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -48.49 107.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 123.08 -18.78 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -100.67 170.46 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.7 p -122.27 150.22 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.6 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -105.14 146.37 29.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -121.32 129.53 75.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.471 ' CD2' ' HD2' ' A' ' 70' ' ' ARG . 10.4 tp -130.16 118.97 22.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 32.4 tptt -84.6 98.41 10.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' HD2' ' CD2' ' A' ' 68' ' ' LEU . 9.3 mtp180 -145.3 169.36 18.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 42.71 26.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.62 49.31 60.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.442 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -172.44 168.0 5.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.332 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 34.0 m-85 -106.43 112.17 25.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.418 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.7 mt -92.25 137.7 21.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -105.34 141.59 36.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.6 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 81.6 m-85 -124.62 90.81 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.879 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 HD12 ' SG ' ' A' ' 30' ' ' CYS . 26.8 mt -61.07 118.04 6.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.4 mt -112.72 110.1 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 65.9 p -108.98 -33.93 6.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -123.05 147.45 46.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -76.41 -74.85 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.61 -174.61 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.1 -38.33 75.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.4 t -45.69 -38.72 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -92.04 150.28 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -110.72 150.39 41.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.598 0.714 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' HB2' HD11 ' A' ' 124' ' ' LEU . 53.3 Cg_endo -69.77 123.43 10.09 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.682 2.254 . . . . 0.0 112.356 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 34.2 p -106.58 143.27 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.456 ' CE1' HD22 ' A' ' 124' ' ' LEU . 21.9 m-85 -51.72 -39.16 57.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -56.31 -55.12 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 32.2 m-20 -62.58 -42.01 99.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 94' ' ' GLN . 15.6 tp -53.58 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.7 tt0 -35.25 -53.26 0.62 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -52.33 -58.09 7.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 68.5 m -43.8 -40.04 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.1 mt -65.65 -37.86 87.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -66.82 -37.15 83.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.33 -37.79 71.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.0 ttp -59.75 -66.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.851 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.714 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.2 pttp -46.02 -54.7 7.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -35.02 -50.15 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.814 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.445 ' CE1' HD21 ' A' ' 107' ' ' ASN . 25.9 t-80 -58.12 -48.44 80.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 108' ' ' GLY . 74.6 m -45.75 -62.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.764 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.3 mp -53.69 -51.49 63.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -41.05 -58.89 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.445 HD21 ' CE1' ' A' ' 103' ' ' HIS . 5.0 m-80 -82.0 -64.86 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 144.04 49.89 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.485 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.3 t -100.51 99.25 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.925 0.393 . . . . 0.0 111.113 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 14.9 t -104.17 34.01 3.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -159.68 116.22 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.2 tp -135.23 155.7 50.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.2 p -145.72 141.98 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 22.0 ptp -159.19 134.86 6.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.591 0.71 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.75 -167.2 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.711 2.274 . . . . 0.0 112.361 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 -77.23 124.15 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 33.6 pt -121.08 148.16 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 63.52 59.58 8.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.537 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 23.3 p -72.2 177.88 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.351 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -48.62 -45.09 30.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.499 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.9 tt -40.33 -62.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.18 156.54 31.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -54.18 -44.86 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 88' ' ' PRO . 32.6 mt -61.08 170.29 1.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -141.12 123.14 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -41.21 -27.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.79 -48.02 78.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -71.25 -56.4 6.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.01 -58.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.9 p -45.79 -42.81 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.41 -45.15 92.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.688 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -55.68 -38.13 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 51.1 mt -67.51 -28.24 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.116 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -76.4 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.54 -29.86 71.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 132' ' ' MET . 49.9 t -74.51 -53.6 16.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -81.27 -2.17 47.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -42.25 -38.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.85 63.38 0.72 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.083 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -147.25 167.69 23.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -112.64 35.65 3.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 143' ' ' LYS . 13.1 mt -114.15 155.71 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 142' ' ' ILE . 21.7 mmmt -122.61 133.63 54.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 34.2 mt -116.18 142.66 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 1.9 m -127.19 146.95 50.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.9 t -126.05 112.72 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -95.25 137.03 34.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 55.0 p -123.79 105.74 9.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 t -85.74 80.89 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 t -48.26 170.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 -153.72 49.46 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 t -81.72 135.32 35.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -99.04 99.09 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.41 60.26 8.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.02 -55.76 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 10' ' ' ARG . 23.5 p -129.82 122.16 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 9' ' ' SER . 56.2 mmt-85 -34.81 -40.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.5 mt -77.21 129.78 37.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.159 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 26.2 m -123.97 128.25 49.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -90.8 128.23 36.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.8 t -132.14 144.8 36.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -100.97 130.85 47.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.86 -161.08 26.28 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.05 170.0 4.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.36 . . . . 0.0 110.849 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 7.9 tp -118.47 -26.36 6.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.581 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.8 m-85 -108.94 -29.3 8.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.97 -26.62 33.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -68.07 -60.44 5.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 0.0 110.867 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.6 Cg_endo -69.73 177.52 5.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -128.48 -41.53 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -128.22 -26.75 2.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.19 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -38.58 131.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.6 m -79.13 179.75 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.646 HD13 ' CZ ' ' A' ' 45' ' ' PHE . 94.7 mt -116.59 160.57 20.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.72 129.84 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.709 ' CD2' HG22 ' A' ' 117' ' ' ILE . 25.6 t-80 -151.78 173.1 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.7 p -106.4 122.07 45.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 7.0 pt -135.71 174.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 p -93.87 178.19 5.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -67.08 -45.37 77.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' O ' HD21 ' A' ' 56' ' ' LEU . 2.6 m-20 -55.46 -19.79 10.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 57.8 m 54.02 50.83 15.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -108.82 77.82 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.9 mtm -73.89 115.46 13.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.54 43.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.68 145.26 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.137 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.41 -157.44 0.99 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.435 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.8 tt -49.56 -31.29 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.874 0.369 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.18 -25.1 1.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.1 t -64.95 -52.57 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -46.26 -39.75 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.646 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 12.6 m-85 -56.04 -48.56 75.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -62.85 -15.92 56.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -94.65 -39.86 10.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.955 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 3.0 mptp? -72.56 -52.85 13.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.891 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -107.68 -61.34 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 56.41 47.61 81.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -103.47 36.97 3.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 53' ' ' GLN . 28.7 m -50.01 -41.17 17.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.773 0.321 . . . . 0.0 111.152 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' N ' HG23 ' A' ' 52' ' ' VAL . 20.9 tp60 -64.4 -32.2 73.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -77.61 -29.87 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD21 HD22 ' A' ' 68' ' ' LEU . 19.7 mt -78.62 -42.8 27.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD21 ' O ' ' A' ' 34' ' ' ASP . 53.5 mt -59.26 -34.45 72.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -58.57 -24.27 60.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.831 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 59' ' ' GLN . 41.4 mt-30 -70.29 -11.07 60.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 58' ' ' GLN . 62.6 mt-30 37.6 48.11 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 45.6 mmtt -67.83 -178.83 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -147.24 158.84 44.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.3 p -41.02 153.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 66.51 2.02 13.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.535 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -112.89 160.26 18.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.2 p -120.18 152.37 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.415 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -113.37 153.66 28.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.8 t -128.16 143.14 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.137 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 68' ' ' LEU . 10.4 tp -141.53 130.71 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 17.9 tptm -94.82 92.28 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -131.69 119.33 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.0 t70 74.88 46.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 47.96 54.6 11.5 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -162.0 161.93 28.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 24.6 m-85 -113.61 103.65 11.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.3 mt -85.17 148.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.478 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 76.9 m-85 -119.1 132.15 55.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -119.69 99.19 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.409 HD21 ' HE2' ' A' ' 100' ' ' MET . 6.2 mt -70.58 127.23 31.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.91 119.47 61.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.5 p -118.35 -40.65 2.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -113.31 157.39 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -102.23 -54.84 2.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -122.2 144.1 49.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.72 -44.34 6.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.9 m -42.05 -45.42 3.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -89.85 127.2 35.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -81.66 151.22 67.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.606 0.717 . . . . 0.0 110.875 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.59 45.66 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 112.36 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.1 p -114.24 140.43 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CE1' HD22 ' A' ' 124' ' ' LEU . 28.2 m-85 -51.88 -43.12 63.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -51.22 -58.26 6.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -53.35 -44.03 68.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.431 HD21 HG13 ' A' ' 129' ' ' VAL . 20.9 tp -53.35 -64.97 0.65 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 93' ' ' LEU . 4.3 tt0 -35.65 -62.09 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -46.49 -51.34 15.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -50.31 -41.49 51.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.05 -32.73 73.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HG2' HG13 ' A' ' 136' ' ' VAL . 22.4 mt-10 -75.68 -21.7 57.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.42 -29.0 18.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.539 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.3 ttp -72.54 -56.61 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.776 ' O ' HD12 ' A' ' 105' ' ' LEU . 27.8 pttt -50.77 -50.12 56.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.44 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 9.4 t -37.04 -44.25 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.853 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.469 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 8.5 t-80 -60.06 -56.67 18.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 108' ' ' GLY . 39.8 m -39.29 -58.24 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.776 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.4 mp -58.36 -55.2 38.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -40.3 -49.65 2.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -88.7 -69.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 147.63 50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.497 HG23 ' OD1' ' A' ' 107' ' ' ASN . 87.9 t -102.68 100.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.87 0.367 . . . . 0.0 111.05 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.4 t -104.97 33.26 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -155.96 108.74 2.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 112' ' ' LEU . 11.1 tp -124.38 149.41 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.13 133.36 29.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.4 ptp -154.91 129.59 4.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -168.22 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -73.37 113.83 10.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.709 HG22 ' CD2' ' A' ' 29' ' ' HIS . 6.5 pt -107.24 115.39 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 128.11 -120.49 3.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.487 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.479 ' C ' ' O ' ' A' ' 118' ' ' GLY . 28.7 p 31.91 43.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -125.5 -177.5 14.92 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.521 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 121' ' ' LEU . 0.3 OUTLIER -56.27 -23.23 35.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.953 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 122' ' ' ASP . 19.9 p-10 -49.16 171.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.46 31.04 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.474 HD22 ' CE1' ' A' ' 90' ' ' TYR . 55.6 mt -106.65 171.81 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -149.67 127.29 11.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 42.3 t-105 -47.5 -35.81 9.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -54.2 -43.48 70.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -73.16 -57.59 3.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.431 HG13 HD21 ' A' ' 93' ' ' LEU . 94.3 t -49.56 -55.21 4.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 83.5 p -46.45 -43.35 16.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.51 -49.35 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.079 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -49.31 -37.92 25.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.88 -30.05 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.9 mt-10 -74.8 -44.64 48.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 136' ' ' VAL . 10.3 pt-20 -69.05 -42.22 76.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 132' ' ' MET . 73.5 t -65.37 -44.66 94.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -91.43 -2.41 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.9 pt-20 -42.15 -37.07 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.28 66.7 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 66.8 p -150.02 170.04 19.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -114.45 35.32 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.95 125.69 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -96.09 124.25 40.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 23.7 mt -107.54 139.61 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.459 ' CG2' ' CE1' ' A' ' 147' ' ' TYR . 24.0 m -128.81 132.41 47.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 75.0 t -107.49 109.08 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.459 ' CE1' ' CG2' ' A' ' 145' ' ' THR . 39.6 m-85 -95.25 144.65 25.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -152.02 140.36 20.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' HG22 ' A' ' 14' ' ' VAL . 33.8 t -105.6 102.33 11.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.819 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -168.6 167.21 11.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.57 104.9 2.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.2 p -119.27 109.45 15.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.6 p -171.92 177.45 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 176.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.44 -98.39 0.92 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.2 m -106.62 138.12 43.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.842 0.353 . . . . 0.0 110.877 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -81.26 -44.08 18.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.6 mt -78.44 133.41 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.0 m -131.96 130.04 40.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -91.17 125.76 36.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG22 ' OG ' ' A' ' 2' ' ' SER . 73.1 t -124.99 146.42 30.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.086 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -103.39 124.66 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.32 -166.96 21.47 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.76 167.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.713 HD21 ' HD3' ' A' ' 115' ' ' PRO . 3.8 tp -120.23 -33.51 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -98.92 -40.01 8.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.7 -32.49 73.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -59.86 -60.38 10.8 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 173.8 10.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -128.73 -39.24 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 25' ' ' ASP . 70.3 p -124.63 -28.77 3.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 24' ' ' THR . 1.7 m-20 -35.93 145.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -92.04 171.99 8.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -121.72 146.86 46.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.77 119.5 8.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -129.18 172.03 11.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.4 p -104.85 122.82 46.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 18.0 pt -139.15 175.43 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.0 p -99.31 162.52 13.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 97.5 mt-10 -49.81 -52.84 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -43.57 -27.28 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 90.2 m 55.64 39.16 30.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.0 mmt85 -93.96 44.63 1.13 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 55.1 mtm -44.95 113.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.36 46.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.59 124.06 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.19 -157.81 48.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.753 HG13 HD12 ' A' ' 44' ' ' LEU . 7.9 tt -44.75 -40.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.147 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 41' ' ' ILE . . . -37.18 -41.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.4 t -52.74 -52.34 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.753 HD12 HG13 ' A' ' 41' ' ' ILE . 56.4 mt -41.35 -47.17 3.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -54.69 -40.85 69.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -67.9 -25.18 65.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' CD ' ' HA ' ' A' ' 44' ' ' LEU . 1.7 mtpt -85.54 -36.37 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -72.92 -51.5 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.501 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 2.6 m-85 -115.71 -60.64 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.34 96.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.64 49.61 0.65 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 m -51.17 -34.56 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -82.81 -31.26 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.821 ' HB3' HD11 ' A' ' 68' ' ' LEU . 14.6 mm-40 -71.37 -34.07 70.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD21 ' CE1' ' A' ' 77' ' ' TYR . 53.0 mt -78.18 -46.74 19.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.2 mt -54.35 -41.31 68.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -48.34 -36.03 13.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -60.03 -31.44 69.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 62.21 45.73 6.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.3 mmtt -77.89 168.34 20.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -148.79 173.0 13.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.8 m -44.84 142.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.54 -11.88 43.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.498 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -109.97 158.92 17.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 p -119.92 145.08 26.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.541 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -98.44 151.91 20.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 103' ' ' HIS . 45.4 t -136.28 129.5 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.821 HD11 ' HB3' ' A' ' 54' ' ' GLU . 8.6 tp -135.23 125.79 26.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.9 tptp -79.09 98.56 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -138.25 128.55 26.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.1 t0 68.46 48.92 0.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 46.81 50.28 15.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -165.75 177.75 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.838 0.351 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -122.79 106.1 10.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.501 HD11 ' CZ ' ' A' ' 49' ' ' PHE . 60.1 mt -85.44 140.04 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -108.15 147.41 31.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 25.1 m-85 -132.61 90.73 2.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.8 mt -60.55 120.15 9.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.7 mt -107.07 119.1 56.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 74.3 p -122.56 -42.36 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -112.02 138.57 48.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.427 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -77.52 -43.57 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.96 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -144.48 158.02 43.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -41.51 -45.48 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.7 t -42.92 -41.68 3.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -91.9 145.2 24.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -107.07 150.06 39.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.581 0.705 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 126.32 13.18 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.72 2.28 . . . . 0.0 112.348 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.6 p -107.87 142.63 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.165 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.655 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 26.2 m-85 -52.49 -40.37 62.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -51.42 -56.36 13.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -65.92 -43.4 88.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 15.0 tp -50.95 -59.81 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -39.6 -57.2 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -50.66 -53.2 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 50.6 m -50.1 -42.7 50.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.38 -32.42 73.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.502 ' HG2' HG13 ' A' ' 136' ' ' VAL . 14.6 mt-10 -75.03 -31.21 61.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -84.3 -28.7 26.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 59.5 ttp -65.85 -47.36 75.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.592 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.2 pttm -63.62 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 101' ' ' LYS . 4.1 t -36.28 -45.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.442 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 36.9 t-80 -59.25 -50.05 75.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.838 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.4 m -44.13 -60.5 1.85 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.9 mp -56.06 -57.47 12.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -40.39 -50.45 2.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.442 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -79.12 -69.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 149.23 47.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 91.0 t -110.47 135.58 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.955 0.407 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.7 p -126.54 -6.95 6.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -124.68 122.73 38.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -132.79 144.95 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 59.1 m -128.43 141.34 51.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 25.3 ptp -158.0 130.78 4.42 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 110.891 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.713 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.74 -163.51 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 0.0 112.356 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.807 ' HD2' HG22 ' A' ' 148' ' ' THR . 1.5 mpp_? -74.49 131.71 41.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.8 pt -128.69 124.2 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.78 86.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 32.1 p -165.14 152.11 10.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 52.94 -96.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.8 mp -54.66 -54.69 38.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.763 0.316 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -56.89 162.33 2.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -83.36 -48.83 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.529 HD22 ' CE1' ' A' ' 90' ' ' TYR . 75.4 mt -48.67 172.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -134.82 121.43 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.456 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 76.4 t-105 -41.25 -41.34 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -40.62 -51.15 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -73.89 -58.81 3.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 87.8 t -42.16 -61.5 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.456 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 64.0 p -41.57 -47.51 3.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.51 92.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.655 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -55.14 -41.5 71.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.842 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 75.1 mt -66.49 -24.72 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 138' ' ' GLU . 11.6 mt-10 -84.19 -49.44 8.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.4 -38.18 88.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 98' ' ' GLU . 37.1 t -71.82 -46.62 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.465 ' CE2' HD11 ' A' ' 144' ' ' ILE . 10.1 m-85 -87.13 -1.91 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.4 pt-20 -46.33 -32.65 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.87 43.92 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 30.2 p -138.92 152.5 47.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -89.35 -18.32 27.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.846 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 56.2 mt -51.6 141.8 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -115.61 124.65 51.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.465 HD11 ' CE2' ' A' ' 137' ' ' PHE . 40.8 mt -106.42 137.13 38.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 9.9 m -123.89 123.07 39.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 87.7 t -99.93 108.25 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -89.26 144.77 25.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.807 HG22 ' HD2' ' A' ' 116' ' ' ARG . 63.2 p -136.37 113.79 10.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.0 pt? . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -153.99 116.1 4.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.85 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.3 p -110.16 101.86 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 -65.42 2.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.6 p -165.87 166.67 17.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 t -86.43 85.06 7.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.76 -123.14 30.93 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.7 77.09 2.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.427 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.9 m -131.61 170.79 14.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 110.877 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 56.2 mmt-85 -108.06 -42.46 4.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 51.7 mt -56.62 130.43 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.7 m -123.06 131.62 53.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -96.65 135.34 38.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.8 t -131.18 145.85 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -104.85 126.47 51.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 132.13 -166.81 23.13 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.66 168.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 ' HG ' ' CD1' ' A' ' 19' ' ' PHE . 14.0 tp -126.23 -33.29 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.504 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.6 m-85 -100.67 -33.89 10.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.76 -21.92 32.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -64.43 -60.17 9.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.599 0.714 . . . . 0.0 110.859 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.9 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.335 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -102.81 -32.13 9.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.5 p -128.48 -28.73 2.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.202 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -54.13 133.55 44.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.81 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.464 ' HB2' HD12 ' A' ' 112' ' ' LEU . 63.9 m -82.62 174.5 10.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -111.91 151.36 29.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB3' ' HB3' ' A' ' 114' ' ' MET . . . -143.75 145.09 32.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -157.76 165.8 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 52.5 m -104.53 125.1 50.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 pt -139.93 169.74 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.5 p -97.3 161.33 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -47.51 -35.93 9.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -54.4 -35.74 63.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 88.1 m 60.63 48.16 7.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -112.18 77.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 31.4 mtm -71.26 91.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.57 38.94 1.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.23 121.84 3.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.102 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.83 -152.99 52.75 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 44' ' ' LEU . 7.1 tt -47.43 -38.43 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.103 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -35.55 -42.68 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.091 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 46' ' ' LYS . 76.6 t -60.01 -52.23 63.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 41' ' ' ILE . 96.4 mt -41.24 -28.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -81.17 -36.65 29.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -77.12 -18.4 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HG3' ' CD ' ' A' ' 48' ' ' LYS . 8.4 ptpt -91.73 -40.7 11.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' CD ' ' HG3' ' A' ' 47' ' ' LYS . 2.1 mptp? -77.13 -53.66 7.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -97.03 -65.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.64 63.63 3.95 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -124.16 43.76 1.37 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.0 m -56.56 -49.99 75.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.573 ' N ' HG23 ' A' ' 52' ' ' VAL . 9.2 tp-100 -58.47 -31.41 67.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.472 ' HB3' HD11 ' A' ' 68' ' ' LEU . 9.4 mm-40 -72.33 -37.77 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -72.08 -47.66 49.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.4 mt -52.95 -37.91 61.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 63.1 m-20 -52.43 -39.9 61.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -55.76 -19.31 10.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 48.68 46.18 21.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.3 mmtt -76.41 177.17 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -157.96 165.53 34.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 m -41.69 131.21 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.28 -21.05 42.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -108.53 171.53 7.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.923 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.642 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.6 p -131.34 137.75 54.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -92.27 146.13 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 76' ' ' TYR . 96.2 t -125.63 139.74 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.0 tp -138.51 123.23 18.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -78.72 97.67 5.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 1.6 mmp_? -134.49 152.74 51.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.846 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.444 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 12.5 t70 45.74 33.76 1.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.39 35.87 92.49 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.463 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.444 ' NH2' ' OD2' ' A' ' 71' ' ' ASP . 6.1 ptt-85 -150.86 164.22 36.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.83 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -105.34 103.22 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.14 125.41 39.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.455 ' CG ' ' HG3' ' A' ' 100' ' ' MET . 92.4 m-85 -96.98 149.27 22.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.426 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 98.6 m-85 -134.87 91.35 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 33.3 mt -59.87 119.98 8.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.9 mt -108.5 112.18 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 70.2 p -110.82 -46.82 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -110.64 161.62 15.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.8 tttt -93.09 -46.64 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 84' ' ' ALA . 3.7 ptp180 -142.3 150.22 40.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 83' ' ' ARG . . . -36.86 -51.08 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.0 t -37.51 -49.31 1.04 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -89.18 127.5 35.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.87 151.3 49.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.8 48.36 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.716 2.278 . . . . 0.0 112.37 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.3 p -129.94 155.16 46.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.145 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.527 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 20.4 m-85 -63.99 -39.72 94.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -56.75 -55.29 36.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -63.84 -39.94 95.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -53.91 -64.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.1 tt0 -38.34 -51.31 1.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -59.59 -55.56 32.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.4 p -42.52 -45.44 4.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 27.4 mt -59.74 -42.35 92.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' HA ' ' CG ' ' A' ' 101' ' ' LYS . 13.7 mt-10 -62.41 -50.87 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -50.15 -27.89 6.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.642 ' HA ' HG11 ' A' ' 65' ' ' VAL . 43.2 ttp -77.58 -61.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.78 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 ptmt -50.86 -47.61 60.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.9 t -46.12 -39.81 10.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -69.27 -39.92 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 65.1 m -52.46 -59.56 4.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.78 HD12 ' O ' ' A' ' 101' ' ' LYS . 3.3 mp -59.22 -51.79 68.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.93 -48.26 5.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -84.98 -69.35 0.66 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 152.65 54.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.447 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.06 135.46 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.7 p -123.65 -16.16 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -123.0 135.19 54.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.464 HD12 ' HB2' ' A' ' 26' ' ' SER . 6.8 tp -142.19 144.04 33.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.7 m -122.49 141.85 51.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.58 ' HB3' ' HB3' ' A' ' 28' ' ' ALA . 25.4 ptp -159.31 128.33 3.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -166.6 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.654 2.236 . . . . 0.0 112.341 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.1 mmm-85 -70.65 132.04 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.0 pt -129.11 137.18 57.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.95 48.34 54.9 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 120' ' ' GLY . 8.8 t -61.16 166.77 3.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.863 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 119' ' ' CYS . . . -37.02 -52.91 1.56 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.6 mp -45.46 -46.52 13.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -67.09 147.03 53.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -46.65 -54.83 8.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.484 HD22 ' CE1' ' A' ' 90' ' ' TYR . 21.6 mt -58.18 170.23 0.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 126' ' ' TRP . 15.6 mm100 -136.12 125.18 24.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.407 ' C ' ' O ' ' A' ' 125' ' ' GLN . 53.0 t-105 -37.51 -38.04 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.99 -49.64 30.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 11.8 m-80 -74.39 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 132' ' ' MET . 99.7 t -45.22 -64.29 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 93.6 p -39.63 -30.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -78.52 -43.93 25.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.697 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -51.99 -35.2 45.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 52.5 mt -67.97 -35.8 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLU . 14.8 mt-10 -70.75 -52.72 18.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -62.05 -39.44 92.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 132' ' ' MET . 54.9 t -67.25 -52.93 37.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.187 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 54.6 m-85 -83.05 -2.21 54.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 134' ' ' GLU . 9.8 pt-20 -42.23 -31.69 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.09 60.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 6.5 p -144.93 165.26 28.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -111.02 33.73 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 21.6 mt -116.3 142.23 30.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -112.0 127.72 55.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.564 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.0 mt -107.51 144.71 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 89.9 m -130.75 134.06 46.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 89.2 t -106.93 115.34 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -94.2 139.11 31.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.6 p -134.92 108.43 7.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.185 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.471 -0.251 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.3 p -155.18 137.51 14.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.374 . . . . 0.0 110.895 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -104.61 -60.07 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 121.35 1.01 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -170.64 117.33 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -139.6 155.99 47.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.65 166.06 38.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.452 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 130.74 -155.36 21.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.447 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -58.68 178.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 110.863 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -65.15 -56.1 14.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 mt -105.01 131.52 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.6 m -132.98 135.15 45.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -94.45 126.77 39.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.932 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.9 t -128.21 140.33 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.3 ttpp -101.58 118.9 37.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 146.28 -171.29 27.2 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.515 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -45.67 165.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.869 0.366 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 18' ' ' LEU . 7.5 tp -124.35 -31.87 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.508 ' CD2' ' HE3' ' A' ' 48' ' ' LYS . 20.4 m-85 -103.15 -21.74 13.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -96.43 -11.73 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.074 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -72.04 -64.95 0.91 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.583 0.706 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.1 Cg_endo -69.71 157.22 61.24 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.351 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -113.12 -36.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -124.82 -22.03 4.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.84 129.33 41.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.9 m -78.28 -174.96 3.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -121.57 149.72 42.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.69 139.72 40.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.428 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 13.9 t-80 -150.0 166.24 30.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.1 p -105.67 126.54 52.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.489 HD12 ' HA ' ' A' ' 35' ' ' CYS . 25.4 pt -144.87 179.99 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.0 p -103.05 -178.51 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -70.34 -17.79 63.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -71.44 -21.33 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.489 ' HA ' HD12 ' A' ' 31' ' ' ILE . 23.2 m 55.38 40.47 31.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 37' ' ' MET . 3.3 mmp_? -92.25 -54.36 3.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.796 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 0.0 OUTLIER 32.96 53.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.29 43.99 1.75 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.43 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -151.55 152.79 33.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.71 -154.9 16.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.3 tt -59.44 -23.1 24.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.796 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -54.51 -26.52 32.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.49 ' CG1' ' HD2' ' A' ' 47' ' ' LYS . 24.7 t -64.25 -59.95 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 65.6 mt -36.08 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' VAL . 27.5 m-85 -71.98 -61.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -46.61 -21.53 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 5.2 mtpm? -96.87 -47.09 5.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.508 ' HE3' ' CD2' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -62.38 -53.91 48.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.87 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -105.2 -56.41 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 77.28 -91.17 1.02 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.433 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 33.98 36.67 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -51.1 -42.54 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.141 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -77.67 -30.62 52.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.602 ' HB3' HD11 ' A' ' 68' ' ' LEU . 39.9 mt-10 -64.57 -33.54 76.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.2 mt -74.74 -44.93 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.38 -33.75 74.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -56.54 -16.06 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.731 ' NE2' ' HB1' ' A' ' 66' ' ' ALA . 52.3 mt-30 -78.91 -22.12 46.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 55.95 37.16 28.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -68.84 162.54 26.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -134.05 172.45 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.2 p -54.21 132.84 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.02 -12.99 65.41 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -104.99 177.14 4.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.475 HG11 ' HA ' ' A' ' 100' ' ' MET . 14.6 p -131.65 142.86 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.731 ' HB1' ' NE2' ' A' ' 58' ' ' GLN . . . -101.46 132.93 46.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.4 t -113.13 134.07 56.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.602 HD11 ' HB3' ' A' ' 54' ' ' GLU . 11.1 tp -135.13 121.27 20.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -94.5 98.11 10.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -74.78 -72.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -119.82 -71.18 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -137.51 31.81 2.46 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.517 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.8 ptp180 -149.21 153.36 37.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -108.85 103.6 12.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.43 131.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -102.78 144.9 30.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.488 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 6.6 m-85 -129.51 92.65 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD21 ' HE2' ' A' ' 100' ' ' MET . 21.2 mt -60.77 123.2 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -112.39 120.86 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 46.0 p -117.5 -45.36 2.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -109.86 154.57 22.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.87 -50.79 5.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.554 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 6.1 mmt85 -122.88 151.6 41.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.63 -41.5 42.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.1 t -49.14 -41.79 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' HB2' ' A' ' 83' ' ' ARG . 1.3 m80 -86.65 118.04 25.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 148.19 81.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 133.34 25.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 25.7 p -111.48 141.25 45.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.452 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.2 m-85 -46.82 -45.03 19.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -47.94 -53.64 15.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -63.18 -38.14 90.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 94' ' ' GLN . 34.9 tp -58.12 -64.43 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 93' ' ' LEU . 5.9 tt0 -36.45 -56.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.9 mttt -53.96 -53.88 46.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 m -46.86 -37.71 9.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.8 mt -71.2 -36.35 71.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -66.24 -28.69 68.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.3 -35.74 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.653 ' HE2' HD21 ' A' ' 78' ' ' LEU . 23.8 ttp -62.01 -63.1 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.809 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.5 pttp -46.57 -52.34 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 101' ' ' LYS . 3.1 t -39.01 -46.07 1.3 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' CE1' ' ND2' ' A' ' 107' ' ' ASN . 26.6 t-80 -61.44 -50.6 72.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.461 ' O ' ' N ' ' A' ' 108' ' ' GLY . 86.3 m -44.07 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 101' ' ' LYS . 1.7 mp -52.98 -53.59 47.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -42.4 -48.49 5.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.41 ' ND2' ' CE1' ' A' ' 103' ' ' HIS . 35.4 m-80 -89.71 -70.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 153.19 44.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.1 t -96.71 95.63 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 111.128 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.437 ' O ' ' CG ' ' A' ' 111' ' ' ASP . 14.9 t -96.46 31.33 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 110' ' ' THR . 12.1 m-20 -172.57 136.55 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.7 tp -145.56 150.19 35.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.0 m -128.54 139.48 52.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.6 ptp -162.04 134.22 4.19 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.716 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -164.51 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.379 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 16.3 mtt85 -76.14 126.66 31.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.7 pt -127.31 142.42 43.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.93 50.41 58.22 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 49.2 t -142.34 130.84 22.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.842 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 117.44 -130.12 8.68 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.68 -41.88 95.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.836 0.35 . . . . 0.0 110.944 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -44.14 139.73 2.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.889 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -51.94 -49.41 63.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 90' ' ' TYR . 13.3 mt -55.19 171.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -149.53 138.25 20.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 53.0 t-105 -52.4 -19.41 2.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.4 -40.37 81.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -84.41 -50.28 7.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 85.7 t -53.49 -60.77 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.477 ' HA ' HD12 ' A' ' 133' ' ' ILE . 91.6 p -38.38 -44.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.4 85.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.459 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.1 OUTLIER -53.32 -28.12 26.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 130' ' ' SER . 27.8 mt -80.8 -30.22 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -76.27 -39.19 54.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.53 -40.96 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 132' ' ' MET . 25.1 t -65.74 -34.0 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.613 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 29.9 m-85 -96.95 -7.2 33.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -43.02 -30.18 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.6 53.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 31.2 p -140.92 159.61 41.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -105.88 25.66 10.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 143' ' ' LYS . 11.6 mt -103.35 157.5 5.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.457 ' N ' HG22 ' A' ' 142' ' ' ILE . 16.4 mmtp -127.9 124.11 36.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 22.2 mt -105.09 151.89 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 48.4 m -137.59 128.19 26.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 88.5 t -103.72 116.6 47.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -93.3 134.7 35.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.6 p -135.56 113.66 11.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 m -156.72 166.17 34.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -163.74 171.1 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -116.74 -49.52 0.43 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.455 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.9 m 37.15 46.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -87.7 122.93 31.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.868 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.96 171.83 23.42 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.464 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.2 -120.68 5.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.7 p -64.8 159.47 22.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.378 . . . . 0.0 110.828 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -79.86 -41.3 26.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.9 mt -93.65 132.91 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 m -130.34 121.9 26.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -90.55 121.52 32.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -124.1 139.9 49.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.144 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 ttpt -97.56 125.09 42.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 137.07 -162.1 25.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.453 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.643 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -58.31 149.76 23.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.867 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 147' ' ' TYR . 19.0 tp -99.27 -41.54 7.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.548 ' CD1' HD13 ' A' ' 27' ' ' LEU . 2.8 m-85 -102.08 -30.46 11.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.643 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -72.43 -25.8 61.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.105 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.492 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -71.78 -62.61 1.59 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.492 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 53.2 Cg_endo -69.78 149.13 66.36 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.329 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -123.53 -20.42 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.5 p -134.62 -0.79 2.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -85.17 132.32 34.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -73.08 162.38 29.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD13 ' CD1' ' A' ' 19' ' ' PHE . 42.8 mt -109.59 161.98 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.454 ' HB2' HD11 ' A' ' 112' ' ' LEU . . . -160.56 138.14 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.416 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 17.9 t-80 -159.15 172.37 18.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.821 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 66.3 m -104.04 136.29 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 35' ' ' CYS . 18.6 pt -138.22 -178.81 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.4 p -97.91 176.46 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -68.87 -28.54 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' CYS . 3.9 m-20 -88.15 20.51 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HA ' HD12 ' A' ' 31' ' ' ILE . 79.1 m 36.91 46.31 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' MET . 25.1 mmm-85 -69.12 -61.54 1.75 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' ARG . 15.0 ptt? 37.14 35.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.27 43.47 1.68 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.509 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -154.65 138.01 15.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 111.081 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.38 -145.19 48.53 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tt -62.55 -34.27 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.342 . . . . 0.0 111.132 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -46.86 -23.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.625 HG13 ' HE3' ' A' ' 46' ' ' LYS . 66.5 t -64.46 -59.31 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 HD23 ' CE ' ' A' ' 47' ' ' LYS . 81.4 mt -39.58 -39.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -57.89 -54.0 51.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' HG13 ' A' ' 43' ' ' VAL . 2.8 pttp -64.24 -24.14 67.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' CE ' HD23 ' A' ' 44' ' ' LEU . 37.5 mtmt -73.91 -39.16 64.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.32 -46.35 12.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.476 ' CE1' HD11 ' A' ' 75' ' ' ILE . 6.8 m-85 -105.11 -68.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.27 52.58 50.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.39 37.56 3.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.523 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 53' ' ' GLN . 35.3 m -41.8 -44.82 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' N ' HG23 ' A' ' 52' ' ' VAL . 46.7 tp60 -63.22 -41.32 99.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.692 ' HB3' HD11 ' A' ' 68' ' ' LEU . 19.0 mm-40 -67.43 -42.57 82.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 42.2 mt -66.64 -49.67 65.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.5 mt -54.25 -33.91 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -56.51 -26.87 55.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.74 -27.08 63.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 59.56 43.17 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 46.1 mmtt -74.43 168.16 20.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HG2' ' C ' ' A' ' 60' ' ' LYS . 17.6 mmtm -144.87 167.81 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.3 m -40.43 139.96 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.77 -15.67 30.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -100.96 155.39 18.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.3 140.66 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.137 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.488 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -104.63 127.03 52.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 76' ' ' TYR . 60.1 t -110.31 139.01 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.692 HD11 ' HB3' ' A' ' 54' ' ' GLU . 6.6 tp -145.5 131.57 19.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.558 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 16.3 tptm -98.57 106.56 18.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -115.09 -70.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.442 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . 1.5 m-20 -97.63 80.15 2.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.58 36.71 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' NH1' ' HB2' ' A' ' 71' ' ' ASP . 7.0 ptp85 -157.71 151.99 24.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.869 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 69' ' ' LYS . 26.1 m-85 -97.63 113.06 24.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.476 HD11 ' CE1' ' A' ' 49' ' ' PHE . 44.9 mt -92.89 130.32 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.509 ' CD2' HG22 ' A' ' 67' ' ' VAL . 81.7 m-85 -100.62 145.06 28.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.408 ' HB2' ' HB3' ' A' ' 66' ' ' ALA . 89.8 m-85 -131.38 85.17 2.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.7 131.89 52.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.3 mt -112.52 111.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.2 p -114.51 -41.66 3.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.168 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -105.77 135.61 46.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.3 mtpt -71.76 -61.15 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -134.78 158.38 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.87 -40.97 6.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.07 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.3 t -57.16 -36.63 70.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -89.46 139.82 30.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -95.63 151.1 38.28 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.87 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.456 ' HB2' HD11 ' A' ' 124' ' ' LEU . 54.2 Cg_endo -69.74 160.14 50.8 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.72 2.28 . . . . 0.0 112.358 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 23.1 p -136.34 140.52 43.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.738 ' CE1' HD22 ' A' ' 124' ' ' LEU . 31.1 m-85 -56.11 -43.55 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -49.08 -59.3 3.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -58.13 -49.39 77.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.459 HD21 HG13 ' A' ' 129' ' ' VAL . 13.7 tp -44.74 -59.07 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -39.97 -61.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' GLU . 48.9 mtmt -47.34 -56.36 7.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 56.1 m -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.2 mt -62.54 -36.15 81.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 95' ' ' LYS . 40.1 mt-10 -67.79 -40.05 83.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.88 -36.2 75.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.7 ttp -62.99 -61.13 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.737 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.8 pttp -51.5 -53.78 33.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 101' ' ' LYS . 15.7 t -37.0 -45.18 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 11.8 t-80 -61.42 -55.37 32.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.418 ' O ' ' N ' ' A' ' 108' ' ' GLY . 90.0 m -37.12 -56.49 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.8 mp -62.84 -52.82 61.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -42.55 -42.33 3.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 103' ' ' HIS . 0.6 OUTLIER -94.37 -69.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 149.38 52.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.513 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.5 t -108.37 134.17 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.899 0.38 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.7 p -125.19 -2.14 7.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -130.55 137.28 49.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD11 ' HB2' ' A' ' 28' ' ' ALA . 22.3 tp -152.08 139.25 19.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.5 t -120.51 123.66 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.8 ptp -138.49 128.81 15.09 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 29' ' ' HIS . 53.4 Cg_endo -69.74 -169.44 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -72.59 124.96 26.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 10.6 pt -115.34 107.68 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 147.61 42.26 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 52.3 t -43.5 -45.92 6.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.833 0.349 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -63.32 109.91 3.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.84 -50.6 73.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.848 0.356 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -78.33 -52.86 7.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.836 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -41.23 -66.87 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.738 HD22 ' CE1' ' A' ' 90' ' ' TYR . 72.2 mt -126.22 169.68 12.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -147.03 120.29 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 77.1 t-105 -40.57 -42.39 1.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -44.01 -44.76 7.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.419 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 68.0 m-80 -79.49 -50.27 11.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.459 HG13 HD21 ' A' ' 93' ' ' LEU . 81.8 t -51.67 -67.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 78.7 p -35.28 -41.8 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.826 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -60.73 -49.87 75.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.438 ' HE1' ' CD1' ' A' ' 90' ' ' TYR . 0.6 OUTLIER -49.09 -47.07 45.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.07 -32.64 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.5 mt-10 -68.83 -55.22 11.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -64.46 -34.36 78.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.2 t -70.06 -45.6 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 28.5 m-85 -91.06 -3.52 57.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 134' ' ' GLU . 13.5 pt-20 -43.76 -30.69 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.22 42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 82.4 p -133.62 152.17 51.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -103.75 32.5 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 26.0 mt -104.52 131.09 54.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -98.34 128.22 44.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 45.8 mt -114.19 136.95 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 4.3 m -122.05 116.36 24.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 97.9 t -95.56 108.74 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.54 ' HB2' HD13 ' A' ' 18' ' ' LEU . 51.8 m-85 -88.57 128.28 35.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 43.8 p -130.93 119.64 22.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.146 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -148.14 165.09 31.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.873 0.368 . . . . 0.0 110.852 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 m -103.71 142.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.9 117.53 0.76 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -100.21 116.01 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -112.54 179.43 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.28 -100.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 42.14 -154.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.517 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -85.55 152.25 23.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.835 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 54.8 mmt-85 -49.98 -43.95 50.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 95.2 mt -82.79 133.32 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -139.83 130.69 26.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.02 133.68 38.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.86 151.57 36.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -108.46 123.14 48.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 130.43 -175.14 19.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' ' CD2' ' A' ' 147' ' ' TYR . 1.8 m-20 -36.86 152.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.361 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 18' ' ' LEU . 5.5 tp -114.16 -37.36 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.597 ' HE2' HD13 ' A' ' 44' ' ' LEU . 8.4 m-85 -99.4 -34.56 10.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.66 -27.78 55.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.495 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.72 -60.18 11.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.649 0.737 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.74 175.27 8.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -130.61 -40.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.1 p -120.57 -26.35 5.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.092 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.29 143.75 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 112' ' ' LEU . 40.8 m -95.65 168.14 10.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 HD13 ' CE1' ' A' ' 19' ' ' PHE . 15.1 mt -116.35 146.38 42.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -142.33 116.51 9.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 30' ' ' CYS . 52.4 t-80 -125.82 169.11 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 29' ' ' HIS . 31.5 p -104.81 127.41 52.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 35' ' ' CYS . 9.8 pt -144.78 179.7 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -103.64 165.98 10.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -50.41 -51.48 46.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -48.76 -24.27 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 85.8 m 60.47 34.51 20.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -110.62 93.99 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.499 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . 2.6 mtt -85.59 -71.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.82 35.65 0.96 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -158.57 149.69 20.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 0.0 111.078 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 44.59 -169.45 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 44' ' ' LEU . 16.3 tt -43.75 -39.73 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 111.147 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 37' ' ' MET . . . -37.67 -36.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 38.7 t -49.09 -47.12 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 41' ' ' ILE . 60.9 mt -49.63 -45.58 48.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -71.73 -15.27 62.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -98.1 -18.9 18.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ptmm? -98.82 -36.65 9.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.415 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 2.1 mttp -89.87 -51.0 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' CD2' HD11 ' A' ' 75' ' ' ILE . 1.3 m-85 -119.16 50.67 1.2 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . -52.2 -67.56 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 37.88 36.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.4 m -54.73 -38.88 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 0.0 111.131 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -77.06 -31.41 56.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.694 ' HB3' HD11 ' A' ' 68' ' ' LEU . 24.9 mm-40 -74.08 -34.32 63.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.04 -46.46 34.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.34 -33.27 70.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -53.45 -25.47 16.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -71.65 -28.58 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 53.69 47.49 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mmtt -73.38 -175.17 1.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' SER . 69.1 mttt -158.34 157.34 32.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' LYS . 20.1 m -36.14 132.31 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.08 -12.9 66.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -109.76 165.81 11.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.362 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.22 140.86 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.69 131.52 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 74' ' ' TYR . 95.1 t -112.95 142.26 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.129 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.4 tp -147.81 131.7 17.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 74' ' ' TYR . 1.8 tppp? -96.75 104.76 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -105.03 -68.4 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 72' ' ' GLY . 11.5 t70 -117.76 89.26 3.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 36.14 34.55 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ASP . 7.3 ptp180 -154.19 152.87 30.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CE1' ' HE3' ' A' ' 69' ' ' LYS . 37.8 m-85 -105.44 111.07 23.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.428 HD11 ' CD2' ' A' ' 49' ' ' PHE . 32.7 mt -89.58 124.51 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.117 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -95.65 140.92 29.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -122.95 87.92 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.96 122.53 13.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.3 mt -111.38 112.29 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 48.0 p -105.28 -25.2 12.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.454 ' CD ' ' HD3' ' A' ' 88' ' ' PRO . 9.7 pttp -137.99 155.6 48.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -84.27 -58.77 2.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -126.9 156.64 41.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -43.51 -43.63 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.067 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.0 t -42.92 -41.08 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -94.74 118.03 31.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.868 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 151.6 77.43 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.627 0.727 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HD3' ' CD ' ' A' ' 81' ' ' LYS . 53.6 Cg_endo -69.8 126.89 13.8 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.681 2.254 . . . . 0.0 112.333 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 90' ' ' TYR . 16.7 p -105.94 124.5 49.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.563 ' CE1' HD22 ' A' ' 124' ' ' LEU . 23.5 m-85 -36.95 -40.38 0.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -52.24 -52.4 52.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -64.68 -44.31 90.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 tp -49.48 -63.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.5 -61.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -46.95 -54.52 9.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.2 m -46.78 -48.79 20.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.0 mt -59.84 -33.96 72.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -72.68 -28.98 63.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.01 -35.67 37.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.34 -61.68 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.664 ' O ' HD12 ' A' ' 105' ' ' LEU . 11.4 pttp -48.05 -53.68 15.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 101' ' ' LYS . 1.8 t -34.94 -46.4 0.31 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -63.09 -46.73 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 101' ' ' LYS . 94.4 m -45.41 -64.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.763 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.0 mp -52.48 -53.15 49.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -39.89 -60.68 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -75.41 -68.63 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.09 40.4 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 71.8 t -98.07 91.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.932 0.396 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -83.9 -29.12 27.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -103.13 130.08 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 26' ' ' SER . 7.5 tp -141.25 154.54 45.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -141.47 146.12 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.9 ptp -162.22 135.22 4.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.608 0.718 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.73 -168.75 0.29 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.39 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -71.57 122.81 21.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 14.2 pt -120.57 117.2 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.85 65.66 1.48 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.8 t -151.05 128.47 11.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.861 0.362 . . . . 0.0 110.891 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.66 -108.96 3.62 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.03 -56.49 21.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.359 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -47.17 127.99 11.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 20.0 mmt-85 -50.06 -46.24 53.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.563 HD22 ' CE1' ' A' ' 90' ' ' TYR . 28.6 mt -50.66 168.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.973 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -138.37 127.85 24.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -44.53 -37.56 3.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -47.6 -46.53 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . 0.405 ' O ' ' HB3' ' A' ' 131' ' ' ALA . 4.1 m-80 -80.5 -54.52 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' ' C ' ' A' ' 130' ' ' SER . 93.9 t -45.4 -65.8 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 129' ' ' VAL . 21.0 p -35.4 -43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.83 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 128' ' ' ASN . . . -62.25 -49.84 74.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.2 OUTLIER -48.32 -33.3 8.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.82 -30.86 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 138' ' ' GLU . 10.3 mt-10 -75.12 -48.24 24.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.06 -33.93 75.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 132' ' ' MET . 23.4 t -73.6 -41.61 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -95.28 -2.13 50.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 134' ' ' GLU . 6.6 pt-20 -42.15 -35.52 0.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.63 65.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 37.8 p -146.78 164.58 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.136 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.97 36.46 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.838 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 12.8 mt -119.92 137.01 55.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 38.1 mttm -107.2 143.96 34.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 26.6 mt -124.68 144.67 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.106 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 13.8 m -129.41 125.18 35.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.463 HG12 HG23 ' A' ' 148' ' ' THR . 81.5 t -103.01 105.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.463 ' CD2' ' O ' ' A' ' 17' ' ' ASP . 30.9 m-85 -83.88 113.21 20.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.463 HG23 HG12 ' A' ' 146' ' ' VAL . 33.5 p -119.3 100.96 7.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.189 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.485 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.6 pt? . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -69.33 164.78 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.851 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.0 p -80.45 108.77 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.37 44.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 p -87.02 149.57 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.828 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 m -117.44 -47.69 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.22 46.98 0.52 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.4 131.16 1.56 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.1 m -57.88 -76.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -103.4 -17.99 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.888 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 99.2 mt -59.38 130.03 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.3 m -115.97 129.95 56.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' HH ' ' HZ2' ' A' ' 126' ' ' TRP . 94.8 m-85 -102.9 126.11 49.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -121.04 151.42 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -109.0 116.91 32.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.83 -160.74 27.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.7 169.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.834 0.349 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 HD21 ' HD3' ' A' ' 115' ' ' PRO . 11.5 tp -126.97 -31.91 2.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.52 ' CD2' ' HE2' ' A' ' 48' ' ' LYS . 2.7 m-85 -99.24 -32.0 11.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.01 -12.81 46.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.478 ' CB ' ' CD ' ' A' ' 22' ' ' PRO . 1.3 m -74.88 -62.1 0.95 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.612 0.72 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 21' ' ' CYS . 54.3 Cg_endo -69.77 173.96 10.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -130.64 -33.8 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.3 p -121.92 -31.33 3.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.28 144.66 3.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.528 ' HB2' HD12 ' A' ' 112' ' ' LEU . 47.9 m -94.94 175.16 6.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.465 HD12 ' CE1' ' A' ' 49' ' ' PHE . 30.2 mt -111.14 136.59 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.58 136.61 34.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.82 171.23 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.7 t -105.2 131.04 53.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 pt -143.94 172.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.72 160.05 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -49.73 -52.16 33.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -45.14 -26.09 0.43 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.2 m 54.15 53.21 11.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -115.95 72.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mpp? -51.37 155.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 155.03 41.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -159.52 121.75 3.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 111.115 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 61.43 -151.44 43.1 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.449 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.5 tt -53.98 -32.76 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.154 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -45.03 -21.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.116 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.507 HG13 ' NZ ' ' A' ' 46' ' ' LYS . 99.0 t -72.84 -57.26 7.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 96.3 mt -40.51 -27.29 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 43' ' ' VAL . 20.9 m-85 -63.79 -50.6 68.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.507 ' NZ ' HG13 ' A' ' 43' ' ' VAL . 5.5 ptpp? -61.54 -13.1 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.943 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -94.07 -41.27 9.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.52 ' HE2' ' CD2' ' A' ' 19' ' ' PHE . 8.2 mptt -75.43 -53.66 8.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.3 m-85 -113.95 -62.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.448 ' CA ' ' HA ' ' A' ' 46' ' ' LYS . . . 49.38 76.85 0.14 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 54' ' ' GLU . . . -123.77 39.76 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.553 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.56 HG23 ' N ' ' A' ' 53' ' ' GLN . 36.0 m -42.41 -48.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.56 ' N ' HG23 ' A' ' 52' ' ' VAL . 68.7 tp60 -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.807 ' HB3' HD11 ' A' ' 68' ' ' LEU . 5.0 mm-40 -73.1 -41.59 63.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.5 mt -70.85 -48.08 55.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.5 mt -52.38 -35.96 52.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.5 m-20 -51.6 -32.8 30.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -72.04 -24.78 61.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 51.0 47.77 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -65.45 175.71 1.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -131.02 -177.91 4.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.0 m -74.4 106.92 6.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.24 -15.08 6.48 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.51 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -100.56 -175.64 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.883 HG11 ' HA ' ' A' ' 100' ' ' MET . 8.8 p -136.31 135.03 49.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.44 118.61 36.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.65 HG21 ' ND1' ' A' ' 103' ' ' HIS . 55.3 t -99.37 129.86 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.807 HD11 ' HB3' ' A' ' 54' ' ' GLU . 7.8 tp -124.87 123.72 40.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' C ' ' HD2' ' A' ' 70' ' ' ARG . 9.8 tmtt? -87.53 91.05 8.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HD2' ' C ' ' A' ' 69' ' ' LYS . 1.5 mpt_? -143.24 136.32 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 70.99 42.95 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 52.36 43.92 58.05 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -168.67 167.1 11.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.353 . . . . 0.0 110.884 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.618 ' HB3' HG13 ' A' ' 67' ' ' VAL . 39.6 m-85 -111.39 110.33 20.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.704 HD11 ' CE2' ' A' ' 49' ' ' PHE . 77.5 mt -87.28 131.1 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.463 ' CD2' HG22 ' A' ' 67' ' ' VAL . 19.1 m-85 -103.25 150.12 24.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.667 ' CE1' HG22 ' A' ' 75' ' ' ILE . 45.2 m-85 -134.95 96.67 3.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.9 126.16 28.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 16.3 mt -115.97 110.76 32.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 93' ' ' LEU . 76.5 p -103.61 -45.32 4.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -107.94 -175.55 2.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.557 ' HG3' ' CE1' ' A' ' 86' ' ' HIS . 0.0 OUTLIER -124.05 -34.25 3.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.937 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.496 ' HB2' ' CE1' ' A' ' 86' ' ' HIS . 24.0 mtm180 -147.57 141.59 25.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -39.47 -47.83 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.6 t -39.6 -41.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.557 ' CE1' ' HG3' ' A' ' 82' ' ' LYS . 1.7 m80 -88.77 142.31 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.24 150.39 37.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 160.94 47.85 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.65 2.234 . . . . 0.0 112.354 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.3 p -130.87 162.18 30.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -75.34 -23.87 57.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -73.99 -62.19 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -48.61 -50.62 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HA ' HG22 ' A' ' 80' ' ' THR . 13.8 tp -46.72 -66.86 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.584 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.1 tt0 -39.89 -59.7 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -42.2 -55.85 3.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.3 m -47.51 -45.11 26.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 94' ' ' GLN . 16.8 mt -62.04 -37.85 86.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -68.55 -34.97 76.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.44 -34.39 60.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.883 ' HA ' HG11 ' A' ' 65' ' ' VAL . 54.5 ttp -62.81 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.58 ' O ' HD12 ' A' ' 105' ' ' LEU . 8.7 pttp -45.08 -50.86 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 101' ' ' LYS . 7.5 t -36.32 -45.6 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.65 ' ND1' HG21 ' A' ' 67' ' ' VAL . 2.1 t60 -60.4 -54.49 45.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 75.5 m -36.55 -60.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.747 HD12 ' H ' ' A' ' 105' ' ' LEU . 2.0 mp -60.14 -51.66 68.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -45.82 -45.83 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.86 -69.93 0.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 152.26 56.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.78 134.97 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.924 0.393 . . . . 0.0 111.153 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.4 p -128.41 -8.63 5.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.159 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -124.64 126.69 46.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.528 HD12 ' HB2' ' A' ' 26' ' ' SER . 14.0 tp -136.66 150.17 48.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.6 m -140.68 132.19 27.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 19.1 ptp -151.38 136.03 10.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.603 0.716 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.561 ' HD3' HD21 ' A' ' 18' ' ' LEU . 54.3 Cg_endo -69.71 -163.73 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.708 2.272 . . . . 0.0 112.4 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.1 mmm-85 -76.45 128.72 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 38.2 pt -122.2 147.55 26.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 119' ' ' CYS . . . 145.49 45.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.405 ' C ' ' O ' ' A' ' 118' ' ' GLY . 27.2 p -37.82 127.13 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . 84.94 75.38 1.23 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' GLY . 6.9 tp -38.31 -42.74 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.53 -51.05 25.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 4.1 tpt85 -50.65 -69.1 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 49.9 mt -110.32 169.63 8.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -140.23 134.68 31.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.415 ' HZ2' ' HH ' ' A' ' 13' ' ' TYR . 74.3 t-105 -49.69 -37.4 28.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -49.81 -45.71 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -74.28 -51.47 15.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 132' ' ' MET . 91.0 t -51.42 -61.74 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 57.9 p -39.76 -42.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.82 -40.28 94.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 129' ' ' VAL . 0.0 OUTLIER -60.38 -30.37 69.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.3 mt -77.88 -25.86 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.172 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 138' ' ' GLU . 20.0 mt-10 -81.86 -45.99 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.66 -41.74 87.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.429 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 40.1 t -66.1 -47.73 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.588 ' CE2' HD11 ' A' ' 144' ' ' ILE . 45.0 m-85 -88.4 -1.83 58.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 134' ' ' GLU . 8.5 pt-20 -41.97 -30.08 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -130.5 66.29 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 24.4 p -150.55 169.18 22.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -118.59 39.09 3.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 67.5 mt -112.83 113.46 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 144' ' ' ILE . 6.0 tptm -74.91 141.08 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.588 HD11 ' CE2' ' A' ' 137' ' ' PHE . 21.6 mt -132.61 144.65 36.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.082 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 45.7 m -137.34 142.49 41.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.6 t -112.07 105.99 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.502 ' HB2' HD13 ' A' ' 18' ' ' LEU . 88.1 m-85 -95.42 124.62 39.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 67.5 p -122.94 120.85 34.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.45 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.7 pt? . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.7 m -134.85 177.86 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.857 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -141.65 165.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.17 -122.25 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 t -115.74 42.27 2.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.904 0.383 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -162.14 107.98 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.01 -70.62 0.5 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.97 70.15 1.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -84.98 164.8 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.886 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -112.44 -43.75 3.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.0 mt -48.84 134.86 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.4 m -126.22 132.73 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -93.28 129.11 39.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.9 t -121.32 150.99 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -110.16 130.26 55.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 121.96 -179.61 16.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . 0.4 OUTLIER -34.75 150.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.865 0.364 . . . . 0.0 110.866 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' A' ' 147' ' ' TYR . 12.1 tp -110.21 -40.19 4.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 3.3 m-85 -98.65 -22.42 15.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB3' ' HB2' ' A' ' 17' ' ' ASP . . . -84.25 -28.98 26.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.64 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.49 -52.5 44.4 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.613 0.721 . . . . 0.0 110.877 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.8 Cg_endo -69.76 149.09 66.44 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.373 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -105.57 -35.85 7.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.942 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 t -130.44 -22.45 2.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 22' ' ' PRO . 2.0 m-20 -47.36 140.68 5.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 m -97.21 173.39 7.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' A' ' 45' ' ' PHE . 36.3 mt -116.35 155.05 29.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.89 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.81 117.62 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.057 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 30' ' ' CYS . 54.7 t-80 -132.42 169.88 15.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.436 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 31.1 p -104.3 138.78 40.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.921 HD12 ' HA ' ' A' ' 35' ' ' CYS . 17.9 pt -144.12 175.87 3.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 m -94.58 151.48 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' SER . 19.1 mt-10 -38.11 -40.79 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.913 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 35' ' ' CYS . 4.7 m-20 -83.61 35.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.921 ' HA ' HD12 ' A' ' 31' ' ' ILE . 83.2 m 34.0 38.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -72.81 82.19 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.672 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 2.4 ptt? -120.5 40.79 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.58 43.86 1.61 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -157.57 123.59 4.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.76 -159.02 41.67 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.442 HG13 HD12 ' A' ' 44' ' ' LEU . 13.9 tt -54.41 -33.88 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.672 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -45.33 -36.13 3.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.5 t -51.51 -51.27 26.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD22 ' HE2' ' A' ' 48' ' ' LYS . 85.6 mt -48.1 -39.55 20.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.553 ' CE2' HD13 ' A' ' 27' ' ' LEU . 60.1 m-85 -68.53 -25.29 64.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -84.18 -25.07 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' CG ' ' HD2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -92.46 -33.44 14.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.604 ' HE2' HD22 ' A' ' 44' ' ' LEU . 1.7 mptp? -81.61 -47.84 12.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' CE1' HD11 ' A' ' 75' ' ' ILE . 16.1 m-85 -107.09 -66.82 0.99 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 51' ' ' GLY . . . 79.45 -90.89 1.24 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.498 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 50' ' ' GLY . . . 35.09 38.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 53' ' ' GLN . 26.4 m -61.7 -43.19 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 111.132 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.0 tp60 -66.92 -37.59 84.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -63.39 -38.83 92.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 52' ' ' VAL . 6.1 mt -72.64 -51.95 17.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt -52.47 -37.12 56.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 51.0 m-20 -51.78 -37.06 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -65.76 -27.5 68.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 61.0 36.43 18.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -47.51 176.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 62' ' ' SER . 31.3 mttm -149.61 145.59 26.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 61' ' ' LYS . 18.6 m -36.8 127.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 109.7 -24.61 19.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.519 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -101.71 -179.78 4.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.651 HG11 ' HA ' ' A' ' 100' ' ' MET . 7.9 p -137.15 145.25 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.129 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.56 138.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.423 HG22 ' CD1' ' A' ' 76' ' ' TYR . 58.1 t -113.79 137.67 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.081 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' HG ' ' NE ' ' A' ' 70' ' ' ARG . 9.1 tp -140.73 136.22 32.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 104.12 13.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.481 ' NE ' ' HG ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -111.19 -75.19 0.62 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 72' ' ' GLY . 4.7 m-20 -99.05 84.69 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 33.56 39.04 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.507 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -154.58 157.96 39.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -108.05 102.92 12.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.558 HD11 ' CE1' ' A' ' 49' ' ' PHE . 56.4 mt -80.78 143.02 13.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.155 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.423 ' CD1' HG22 ' A' ' 67' ' ' VAL . 95.3 m-85 -113.57 140.88 47.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -121.22 92.06 3.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 36.6 mt -93.66 113.84 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -114.4 -37.9 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -114.36 174.04 6.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -107.63 -60.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 86' ' ' HIS . 39.4 mtt85 -127.41 153.46 46.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.51 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.6 t -55.21 -42.1 72.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 83' ' ' ARG . 1.9 m80 -89.33 116.42 27.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 9.7 mmmm -95.19 144.41 27.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.574 0.702 . . . . 0.0 110.847 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 173.9 10.31 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.631 2.221 . . . . 0.0 112.348 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.2 p -141.79 143.56 33.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 28.6 m-85 -39.91 -41.34 1.16 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -53.24 -54.37 37.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.45 -53.58 40.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.4 tp -41.96 -55.72 3.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -47.69 -53.05 16.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -53.37 -51.9 61.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 m -47.35 -55.4 8.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.8 mt -52.0 -36.91 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -72.19 -34.35 68.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.22 -33.32 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.651 ' HA ' HG11 ' A' ' 65' ' ' VAL . 37.9 ttp -67.91 -57.8 5.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.833 ' O ' HD12 ' A' ' 105' ' ' LEU . 14.2 pttt -50.28 -49.32 53.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' LYS . 18.7 t -35.81 -49.91 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.491 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 25.8 t-80 -61.68 -50.79 71.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 93.0 m -41.29 -58.06 1.94 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.9 mp -57.53 -52.11 66.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.6 mtpt -41.83 -58.73 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.729 ' OD1' HG23 ' A' ' 109' ' ' VAL . 1.1 p30 -74.5 -65.18 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 146.09 36.22 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.729 HG23 ' OD1' ' A' ' 107' ' ' ASN . 89.8 t -92.56 95.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 111.122 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.9 t -85.6 -38.38 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.41 ' HB3' ' CG ' ' A' ' 25' ' ' ASP . 85.5 m-20 -95.42 129.44 42.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.7 tp -136.37 155.04 50.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.4 m -141.95 131.24 23.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 23.6 ptp -151.35 131.43 7.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.583 0.706 . . . . 0.0 110.895 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.44 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.667 2.245 . . . . 0.0 112.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.9 mtt85 -62.44 125.53 24.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.9 pt -122.99 145.7 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 44.93 79.13 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.1 t -134.82 -65.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.867 0.365 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 121' ' ' LEU . . . -101.44 -88.48 2.03 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 120' ' ' GLY . 12.9 mt -34.93 -63.44 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.773 0.32 . . . . 0.0 110.902 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -50.82 155.8 1.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -73.38 -39.18 65.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.3 178.47 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -133.9 133.32 41.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.912 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -46.66 -44.29 18.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -40.12 -47.8 2.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -80.13 -52.65 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 91.1 t -42.52 -55.83 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 53.8 p -45.8 -43.68 13.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.66 -39.47 94.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.412 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -58.53 -39.41 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.1 mt -68.37 -39.41 80.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.495 ' O ' ' N ' ' A' ' 138' ' ' GLU . 9.7 mt-10 -64.35 -47.45 79.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.16 -45.49 69.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.416 ' CG1' ' HD3' ' A' ' 101' ' ' LYS . 18.1 t -62.12 -41.61 91.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.122 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 69.0 m-85 -96.87 -1.99 44.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 134' ' ' GLU . 5.7 tt0 -42.27 -51.14 4.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.81 65.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 21.1 p -142.04 170.07 16.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -112.32 38.37 2.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 65.0 mt -121.77 139.38 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -106.61 134.74 49.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 35.8 mt -120.75 140.43 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 28.8 m -134.45 129.68 35.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 90.4 t -103.52 111.67 34.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.633 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.5 m-85 -91.39 142.4 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.8 p -136.72 112.73 9.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 179.957 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.5 m -127.54 151.71 48.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 m -65.73 -51.54 58.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.92 112.53 1.08 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -93.8 136.3 34.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.873 0.368 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.9 p -96.11 159.31 15.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.14 124.01 1.06 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.64 -122.96 5.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -69.75 156.8 38.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -69.16 -49.51 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 48.1 mt -87.83 129.75 38.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -132.95 139.98 47.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -95.32 136.69 35.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.78 149.15 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -108.24 127.31 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.94 -178.99 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -38.85 157.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.843 0.354 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.8 tp -115.68 -28.35 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -109.98 -27.83 9.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.33 -24.24 23.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.074 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.627 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 0.5 OUTLIER -65.62 -53.24 38.33 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.609 0.718 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.627 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 53.7 Cg_endo -69.76 170.27 16.96 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.377 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -129.17 -36.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.5 p -126.67 -26.08 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.74 157.95 0.52 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.3 m -110.75 172.57 6.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.459 ' CD1' ' CE2' ' A' ' 49' ' ' PHE . 24.5 mt -111.17 153.61 25.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -152.18 132.78 13.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.691 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -160.38 174.86 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 p -103.49 134.16 47.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.691 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 10.3 pt -136.57 -175.04 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -96.53 169.23 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -69.54 -31.14 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -91.85 26.39 2.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.45 ' C ' ' SD ' ' A' ' 37' ' ' MET . 31.4 p 40.14 35.12 0.23 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 36' ' ' ARG . 2.5 mmp_? -86.1 73.58 10.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 35' ' ' CYS . 5.0 mpp? -88.6 81.21 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.2 40.78 1.81 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.97 125.86 4.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.35 -161.08 53.5 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 43' ' ' VAL . 6.2 tt -56.11 -33.57 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.152 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 41' ' ' ILE . . . -36.64 -29.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 46' ' ' LYS . 71.9 t -66.04 -57.76 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 HD12 HG13 ' A' ' 41' ' ' ILE . 70.6 mt -38.63 -32.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -71.55 -52.37 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -46.62 -27.98 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -94.23 -59.4 1.97 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -52.15 -53.97 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CD1' HD11 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -126.04 42.34 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.874 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 46' ' ' LYS . . . -35.37 -75.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 39.05 40.53 1.15 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.634 ' O ' HD12 ' A' ' 56' ' ' LEU . 10.5 m -57.15 -28.58 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.747 0.308 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' O ' ' CG ' ' A' ' 57' ' ' ASN . 7.3 tp60 -85.44 -34.67 21.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' HB3' HD11 ' A' ' 68' ' ' LEU . 41.5 mm-40 -73.0 -33.2 65.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 mt -77.68 -50.46 12.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 52' ' ' VAL . 33.8 mt -55.38 -33.12 63.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.439 ' CG ' ' O ' ' A' ' 53' ' ' GLN . 77.8 m-20 -55.44 -42.88 74.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.22 -18.1 14.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 49.2 48.12 21.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -78.61 156.87 28.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -138.42 170.85 15.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.2 m -40.89 144.91 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.23 -18.19 14.88 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -104.67 165.75 10.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.5 p -129.48 147.2 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.83 155.59 19.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 74' ' ' TYR . 69.4 t -130.61 140.43 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.099 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.451 HD11 ' HB3' ' A' ' 54' ' ' GLU . 9.6 tp -142.15 123.54 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.499 ' HD3' ' CE1' ' A' ' 74' ' ' TYR . 18.3 tptp -93.06 100.33 12.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -104.99 -65.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 72' ' ' GLY . 12.9 t70 -115.24 88.29 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 34.18 35.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.452 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 14.5 ptt180 -153.49 152.19 30.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.594 ' HB3' HG13 ' A' ' 67' ' ' VAL . 24.1 m-85 -103.95 110.36 22.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.68 HD11 ' CD1' ' A' ' 49' ' ' PHE . 72.8 mt -83.72 130.38 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.112 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -99.05 140.04 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -124.18 88.89 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.3 mt -61.6 127.26 30.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 13.1 mt -110.26 128.55 66.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.3 p -132.12 -42.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -110.85 164.07 13.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -99.92 -45.5 5.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -138.52 149.91 45.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.462 ' HB1' HD11 ' A' ' 121' ' ' LEU . . . -42.03 -43.74 3.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -47.77 -41.37 23.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.5 m80 -89.68 124.05 34.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.28 145.0 59.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.55 0.691 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' O ' HD21 ' A' ' 124' ' ' LEU . 53.5 Cg_endo -69.76 129.17 17.13 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.705 2.27 . . . . 0.0 112.319 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 41.3 p -94.38 162.31 13.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.416 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 25.0 m-85 -72.7 -39.35 67.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.98 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -52.5 -57.94 8.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -57.95 -49.15 77.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.9 tp -46.37 -64.07 0.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -37.68 -56.39 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' GLU . 24.7 mmtm -51.74 -56.75 11.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -42.46 -46.48 4.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.81 -33.52 73.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.928 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 95' ' ' LYS . 29.3 mt-10 -74.66 -26.79 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.03 -26.72 30.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 52.6 ttp -74.31 -62.03 1.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' O ' HD12 ' A' ' 105' ' ' LEU . 9.7 pttp -47.74 -50.1 26.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 101' ' ' LYS . 20.3 t -40.72 -37.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.484 ' CE1' HD21 ' A' ' 107' ' ' ASN . 38.6 t-80 -71.22 -45.02 64.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 97.1 m -47.7 -62.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.773 HD12 ' H ' ' A' ' 105' ' ' LEU . 3.0 mp -52.76 -51.18 61.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -42.21 -58.65 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.484 HD21 ' CE1' ' A' ' 103' ' ' HIS . 11.1 m-80 -78.94 -68.17 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.55 43.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.453 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 64.6 t -97.1 92.59 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 111.198 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.458 HG23 ' OD1' ' A' ' 111' ' ' ASP . 9.9 t -86.94 -19.4 28.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 110' ' ' THR . 25.8 m-20 -112.75 133.32 54.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.4 tp -142.0 156.15 45.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 6.6 m -144.72 138.75 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 20.7 ptp -154.75 130.59 5.44 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.53 0.681 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.466 ' HD3' HD21 ' A' ' 18' ' ' LEU . 53.6 Cg_endo -69.77 -169.37 0.32 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.649 2.233 . . . . 0.0 112.3 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -76.61 124.75 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.66 HD11 HG11 ' A' ' 129' ' ' VAL . 33.0 pt -115.82 140.44 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 124.57 36.95 0.57 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.453 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.8 m -66.31 173.02 3.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -38.17 -57.04 1.78 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.528 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.462 HD11 ' HB1' ' A' ' 84' ' ' ALA . 10.7 tp -51.11 -40.01 57.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.335 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -67.37 -36.87 82.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 59.63 31.29 20.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.508 HD21 ' O ' ' A' ' 88' ' ' PRO . 68.8 mt -116.47 162.51 17.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -111.32 120.55 42.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -43.57 -39.34 3.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -45.66 -46.56 14.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 -70.2 -57.94 4.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.66 HG11 HD11 ' A' ' 117' ' ' ILE . 96.1 t -44.4 -58.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 77.8 p -47.97 -46.35 32.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -59.28 -39.91 84.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 136' ' ' VAL . 0.0 OUTLIER -61.03 -45.7 93.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 80.0 mt -60.33 -25.69 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 138' ' ' GLU . 13.2 mt-10 -74.83 -53.38 9.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.89 -34.59 78.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 132' ' ' MET . 79.7 t -70.88 -44.82 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.188 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.558 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 46.8 m-85 -93.07 -2.06 55.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 134' ' ' GLU . 16.0 pt-20 -42.03 -29.36 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.36 59.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 23.5 p -141.09 156.31 46.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -101.66 29.75 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 35.3 mt -112.01 143.1 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.57 137.23 51.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.558 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 21.4 mt -122.54 143.79 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 58.8 m -131.06 134.11 46.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 95.0 t -101.06 114.64 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -93.3 134.25 35.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.4 p -136.11 119.72 17.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.447 HD23 ' H ' ' A' ' 149' ' ' LEU . 1.8 pt? . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -174.45 158.58 2.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.855 0.36 . . . . 0.0 110.825 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -64.44 105.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.05 83.3 0.46 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -62.25 112.84 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -94.63 143.79 26.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 166.79 35.74 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.91 -59.83 9.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.46 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' ARG . 58.7 m -86.63 121.87 29.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 3.3 tpt180 -37.52 -48.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 18.2 mt -60.81 131.18 25.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.9 m -132.18 129.74 40.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -88.08 122.02 31.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.7 t -119.16 150.62 21.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.099 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -110.56 123.22 49.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 126.72 176.7 14.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' GLY . 1.9 m-20 -34.72 149.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 147' ' ' TYR . 10.4 tp -109.58 -45.73 3.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.573 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 1.1 m-85 -89.24 -41.48 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.852 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -29.91 70.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.5 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -60.39 -60.08 11.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.661 0.743 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.0 Cg_endo -69.78 155.62 65.4 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.668 2.245 . . . . 0.0 112.313 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -113.11 -27.09 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.0 p -131.53 -31.7 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -40.21 149.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HB2' HD12 ' A' ' 112' ' ' LEU . 50.3 m -96.32 167.33 11.25 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.6 mt -118.24 132.72 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -133.46 130.03 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.539 ' CE1' ' HB2' ' A' ' 42' ' ' ALA . 31.3 t-80 -141.87 171.46 14.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.431 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 30.6 p -103.86 122.59 45.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 11.0 pt -139.68 -178.38 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.431 ' CB ' ' HG2' ' A' ' 81' ' ' LYS . 60.5 p -105.61 167.74 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.37 -42.26 70.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -53.54 -19.7 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 86.6 m 47.89 44.72 18.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.4 mmm-85 -102.86 81.2 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 12.3 mtm -64.01 116.61 6.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.451 ' HA2' HG22 ' A' ' 43' ' ' VAL . . . -172.13 41.77 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -159.73 122.67 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.873 0.368 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 66.22 -152.25 52.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.487 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.542 HG13 HD12 ' A' ' 44' ' ' LEU . 13.7 tt -59.9 -34.69 56.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' A' ' 29' ' ' HIS . . . -42.16 -23.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.054 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 HG22 ' HA2' ' A' ' 38' ' ' GLY . 97.4 t -68.66 -58.95 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD12 HG13 ' A' ' 41' ' ' ILE . 50.9 mt -37.12 -32.46 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' VAL . 57.2 m-85 -60.79 -60.61 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -47.8 -20.91 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -94.22 -40.89 9.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -64.77 -45.87 84.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -122.57 -55.9 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.36 74.56 0.36 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.23 48.62 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 53' ' ' GLN . 27.7 m -61.69 -43.73 97.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' HG23 ' A' ' 52' ' ' VAL . 3.6 tp60 -64.89 -33.09 75.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -73.75 -42.14 61.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -71.44 -49.56 40.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.0 mt -49.28 -38.36 26.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -48.58 -32.2 7.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' OE1' ' HB1' ' A' ' 66' ' ' ALA . 55.2 mt-30 -69.65 -29.94 67.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 55.72 30.88 16.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.938 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtp -51.5 -177.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -155.09 162.99 40.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.8 m -43.81 153.62 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.839 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 82.81 -25.06 4.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -104.3 175.73 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.513 HG11 ' HA ' ' A' ' 100' ' ' MET . 10.4 p -134.25 136.59 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' HB3' ' HB2' ' A' ' 77' ' ' TYR . . . -91.26 157.32 17.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -139.84 144.19 28.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 14.3 tp -150.51 129.11 12.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.63 94.63 7.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -101.56 -71.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' O ' ' N ' ' A' ' 73' ' ' ARG . 3.2 t70 -100.84 81.61 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 71' ' ' ASP . . . 35.93 29.96 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.498 ' N ' ' O ' ' A' ' 71' ' ' ASP . 9.3 ptp180 -146.49 156.53 43.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.84 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -102.42 102.02 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.4 127.51 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -98.99 150.42 21.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 55' ' ' LEU . 76.8 m-85 -133.93 95.39 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.0 mt -64.96 122.76 17.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 22.6 mt -111.75 119.65 60.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 52.4 p -124.65 -32.98 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.431 ' HG2' ' CB ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -115.49 148.07 39.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -88.11 -41.57 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 16.7 mtt180 -145.36 146.5 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -40.79 -41.36 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 49.0 m -52.84 -40.98 63.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -86.55 121.05 28.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.72 149.84 83.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.521 ' HG2' HD11 ' A' ' 124' ' ' LEU . 53.4 Cg_endo -69.8 148.34 64.59 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.641 2.227 . . . . 0.0 112.367 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.5 p -118.11 130.71 56.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.53 ' CE1' HD22 ' A' ' 124' ' ' LEU . 22.4 m-85 -47.95 -39.66 19.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -55.19 -55.24 33.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.5 m-20 -59.43 -47.15 86.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.3 tp -49.07 -62.4 1.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -38.61 -57.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.06 -55.1 13.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.1 m -44.06 -49.08 8.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.569 ' HB3' HG11 ' A' ' 136' ' ' VAL . 46.2 mt -56.85 -37.99 72.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -71.63 -39.69 70.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.26 71.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.513 ' HA ' HG11 ' A' ' 65' ' ' VAL . 23.3 ttp -65.34 -66.5 0.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 105' ' ' LEU . 7.9 pttp -46.71 -48.99 20.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 101' ' ' LYS . 23.7 t -34.5 -49.15 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.802 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.48 ' O ' ' ND2' ' A' ' 107' ' ' ASN . 15.1 t-80 -58.03 -53.82 53.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.4 m -40.59 -62.3 0.8 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 101' ' ' LYS . 2.7 mp -51.9 -53.96 34.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 63.2 mttt -42.17 -55.77 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.545 ' OD1' HG23 ' A' ' 109' ' ' VAL . 0.9 OUTLIER -79.88 -66.98 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' CYS . . . 146.2 43.49 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.545 HG23 ' OD1' ' A' ' 107' ' ' ASN . 76.6 t -97.93 96.07 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.914 0.388 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.1 t -86.55 -20.46 27.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -110.71 121.79 46.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.404 HD12 ' HB2' ' A' ' 26' ' ' SER . 15.0 tp -135.46 140.39 44.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 34.3 m -123.81 134.29 53.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 24.0 ptp -150.76 131.86 7.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -167.63 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.708 2.272 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.1 mtt-85 -75.29 124.49 27.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.58 HG13 HG11 ' A' ' 129' ' ' VAL . 27.0 pt -118.58 135.17 59.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 159.6 47.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.9 t -40.82 129.25 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 97.26 117.98 3.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.492 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.6 tp -64.48 -53.84 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.847 0.356 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER -86.12 -51.66 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 179.836 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 122' ' ' ASP . 37.8 mmt-85 -34.98 -61.83 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.53 HD22 ' CE1' ' A' ' 90' ' ' TYR . 34.1 mt -122.65 170.64 9.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.41 ' O ' ' C ' ' A' ' 126' ' ' TRP . 33.9 mm-40 -147.55 122.22 9.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . 0.511 ' CE2' ' HB3' ' A' ' 130' ' ' SER . 73.3 t-105 -36.6 -46.39 0.58 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -40.39 -46.47 2.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -70.7 -58.34 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.58 HG11 HG13 ' A' ' 117' ' ' ILE . 99.6 t -47.61 -64.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.511 ' HB3' ' CE2' ' A' ' 126' ' ' TRP . 89.3 p -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.58 89.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.79 -49.79 70.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.17 -26.39 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 138' ' ' GLU . 19.0 mt-10 -75.34 -52.87 9.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -66.22 -23.3 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 97' ' ' LEU . 46.1 t -82.6 -41.13 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 144' ' ' ILE . 51.4 m-85 -97.91 -2.02 41.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 134' ' ' GLU . 1.7 pp20? -42.21 -47.66 4.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -111.87 66.53 0.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.104 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 39.7 p -147.19 158.34 43.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.149 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -106.39 37.39 2.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 40.7 mt -120.15 124.02 71.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -90.55 130.51 36.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.799 HD11 ' CZ ' ' A' ' 137' ' ' PHE . 29.2 mt -118.3 141.71 36.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 25.3 m -129.15 137.49 51.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 66.0 t -109.11 110.86 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . 0.673 ' HB2' HD13 ' A' ' 18' ' ' LEU . 9.6 m-85 -92.85 138.28 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.2 p -134.94 111.9 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -116.1 166.22 12.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.919 0.39 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 m -99.82 -52.39 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.56 129.6 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.531 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 m -88.34 80.72 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.4 p -174.94 109.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 8' ' ' GLY . . . -133.53 74.57 0.43 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.52 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 7' ' ' GLY . . . -35.81 -74.48 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -82.17 174.0 11.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.835 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -80.69 -42.06 22.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.3 mt -82.49 139.13 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.4 m -123.04 130.3 52.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -96.73 121.06 38.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.6 t -120.13 149.24 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.178 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.8 tttm -108.67 128.53 54.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . . . 129.08 179.86 16.22 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.461 ' CB ' ' HB3' ' A' ' 20' ' ' ALA . 0.3 OUTLIER -37.97 150.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -109.66 -30.38 7.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.559 ' HE2' HD13 ' A' ' 44' ' ' LEU . 2.4 m-85 -101.78 -35.03 9.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.461 ' HB3' ' CB ' ' A' ' 17' ' ' ASP . . . -69.08 -31.75 70.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 22' ' ' PRO . 1.3 m -62.58 -60.92 8.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.637 0.732 . . . . 0.0 110.899 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 54.5 Cg_endo -69.7 174.48 9.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.0 ttpp -127.03 -42.16 1.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.5 t -128.66 -10.65 5.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.75 139.56 16.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.29 177.57 8.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.2 mt -127.59 152.3 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -150.62 137.9 19.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.665 ' CE1' ' CG2' ' A' ' 31' ' ' ILE . 0.4 OUTLIER -160.42 174.42 14.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.0 t -104.07 128.39 51.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.665 ' CG2' ' CE1' ' A' ' 29' ' ' HIS . 6.5 pt -135.89 -175.47 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.0 m -106.07 158.23 16.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.414 ' CD ' ' HG3' ' A' ' 82' ' ' LYS . 30.5 mt-10 -50.06 -48.37 53.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.74 -23.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 61.3 m 55.96 29.69 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -91.38 79.22 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.3 mtm -74.58 88.7 2.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.8 34.72 2.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.607 ' O ' ' HB3' ' A' ' 42' ' ' ALA . . . -157.91 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 40.46 -150.57 0.13 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.648 HG13 HD12 ' A' ' 44' ' ' LEU . 8.1 tt -65.44 -15.81 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.856 0.36 . . . . 0.0 111.129 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 39' ' ' ALA . . . -48.65 -31.5 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.94 -55.57 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.118 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.648 HD12 HG13 ' A' ' 41' ' ' ILE . 89.9 mt -48.09 -24.31 1.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -80.21 -40.59 26.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -71.95 -16.39 62.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' CG ' ' HD3' ' A' ' 48' ' ' LYS . 7.8 ptpt -97.41 -40.07 8.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HD3' ' CG ' ' A' ' 47' ' ' LYS . 4.6 mptt -64.84 -53.78 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.867 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.644 ' CG ' ' N ' ' A' ' 50' ' ' GLY . 2.3 p90 -116.14 -54.17 2.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.644 ' N ' ' CG ' ' A' ' 49' ' ' PHE . . . 55.89 98.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.606 ' N ' ' CE1' ' A' ' 49' ' ' PHE . . . -149.31 43.23 0.78 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.52 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 53' ' ' GLN . 29.2 m -51.39 -42.6 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.739 0.304 . . . . 0.0 111.129 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' N ' HG23 ' A' ' 52' ' ' VAL . 58.0 tp60 -65.11 -37.91 88.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.962 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HG2' ' NH2' ' A' ' 70' ' ' ARG . 14.9 mp0 -69.67 -40.55 76.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.579 HD21 ' CE1' ' A' ' 77' ' ' TYR . 51.7 mt -69.18 -53.74 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.8 mt -51.74 -31.58 27.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -60.19 -33.28 71.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -62.85 -21.72 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 52.88 39.86 29.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 42.5 mmtt -70.99 160.29 33.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -138.46 161.67 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.5 p -40.74 133.59 2.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.832 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 100.71 -21.18 44.97 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -101.39 -178.08 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.904 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.865 HG11 ' HA ' ' A' ' 100' ' ' MET . 13.7 p -145.53 135.26 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.455 ' HB2' ' HG3' ' A' ' 60' ' ' LYS . . . -99.19 138.46 36.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.997 HG11 ' CE1' ' A' ' 103' ' ' HIS . 56.3 t -122.63 120.63 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' HG ' ' CD ' ' A' ' 70' ' ' ARG . 9.4 tp -116.83 137.07 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.492 ' HG2' ' CD1' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -100.45 99.2 9.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' CD ' ' HG ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -143.99 125.35 14.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 74.94 43.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 51.85 57.0 13.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -173.43 164.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HG2' ' A' ' 69' ' ' LYS . 17.0 m-85 -113.97 100.46 8.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.7 mt -80.78 127.9 39.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -100.03 151.89 20.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.579 ' CE1' HD21 ' A' ' 55' ' ' LEU . 27.1 m-85 -134.59 90.78 2.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.521 HD22 ' OG ' ' A' ' 96' ' ' SER . 12.6 mt -67.06 111.85 4.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.936 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 26.1 mt -98.41 122.82 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.137 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 63.3 p -125.53 -43.88 1.87 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.18 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -113.02 150.12 32.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.414 ' HG3' ' CD ' ' A' ' 33' ' ' GLU . 35.0 ttmt -84.17 -44.38 14.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -142.75 158.34 43.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 85' ' ' SER . . . -45.46 -52.75 9.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 84' ' ' ALA . 18.3 m -34.8 -48.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -89.85 122.95 33.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' N ' ' HD2' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -79.27 151.37 75.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.59 0.71 . . . . 0.0 110.91 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 139.48 40.42 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.7 p -107.31 141.34 38.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.504 ' CD1' ' CE ' ' A' ' 132' ' ' MET . 39.0 m-85 -59.02 -40.2 84.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -50.8 -54.54 22.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -63.59 -44.79 93.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 94' ' ' GLN . 23.0 tp -46.82 -62.9 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 93' ' ' LEU . 6.3 tt0 -36.42 -52.84 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 11.2 mttm -52.26 -60.48 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.521 ' OG ' HD22 ' A' ' 78' ' ' LEU . 11.8 p -42.24 -41.73 2.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.79 -34.63 78.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 95' ' ' LYS . 12.0 mt-10 -74.94 -45.57 41.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.84 72.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.057 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.865 ' HA ' HG11 ' A' ' 65' ' ' VAL . 42.6 ttp -67.25 -66.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.597 ' O ' HD12 ' A' ' 105' ' ' LEU . 10.1 pttp -42.5 -46.27 4.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -38.72 -41.93 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.997 ' CE1' HG11 ' A' ' 67' ' ' VAL . 2.1 t60 -63.99 -51.79 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' CYS . . . . . . . . . . . . . 68.3 m -39.4 -63.7 0.54 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.738 HD12 ' H ' ' A' ' 105' ' ' LEU . 1.9 mp -57.01 -55.96 27.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -41.19 -52.58 3.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.922 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -80.66 -72.42 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 154.94 47.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.4 t -103.98 129.57 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.918 0.39 . . . . 0.0 111.147 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.1 p -124.92 -8.17 7.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.191 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.97 128.74 44.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.1 tp -139.69 147.71 41.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.9 m -132.98 127.42 34.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . 0.672 ' SD ' HG23 ' A' ' 144' ' ' ILE . 0.0 OUTLIER -138.86 137.01 18.97 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.57 0.7 . . . . 0.0 110.905 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -170.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.324 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 22.2 mmm-85 -72.09 121.97 20.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 8.1 pt -123.88 113.99 39.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 137.88 43.92 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.515 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 4.6 t -148.09 163.2 37.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.77 -123.24 24.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -54.12 -54.61 37.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -38.48 -45.81 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 58.57 27.45 15.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 29.0 mt -100.22 171.24 7.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -114.16 118.94 35.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -45.05 -33.82 2.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -53.45 -48.15 69.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -69.99 -57.88 4.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 96.1 t -48.86 -63.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 96.5 p -41.1 -45.18 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.26 -43.3 96.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.071 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.504 ' CE ' ' CD1' ' A' ' 90' ' ' TYR . 0.1 OUTLIER -57.08 -39.18 74.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 66.6 mt -68.23 -33.38 60.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 138' ' ' GLU . 12.2 mt-10 -71.28 -48.64 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -66.27 -41.91 89.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 132' ' ' MET . 43.6 t -65.22 -48.4 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -89.31 -2.16 58.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 134' ' ' GLU . 4.8 tt0 -42.22 -41.65 2.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.97 57.85 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' THR . . . . . . . . . . . . . 76.9 p -140.98 175.94 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -124.34 35.5 4.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 28.2 mt -110.27 123.8 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -88.32 143.12 27.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.672 HG23 ' SD ' ' A' ' 114' ' ' MET . 25.6 mt -132.14 145.87 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 21.4 m -134.6 109.29 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 47.1 t -84.56 111.95 21.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -88.08 132.32 34.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 62.9 p -125.8 111.24 14.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.117 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 149' ' ' LEU . 2.1 pt? . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 stop_ save_