data_1wyl_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 1wyl _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' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 23' ' ' TYR . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 102' ' ' LEU . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' LEU . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 105' ' ' PHE . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 73' ' ' VAL . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 52' ' ' LEU . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' A' ' 49' ' ' GLN . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 53' ' ' LEU . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' THR . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.565 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 78' ' ' LEU . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 31' ' ' LEU . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.557 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 13' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.563 ' CZ3' HD22 ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 ' CG2' ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.597 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' ALA . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ALA . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.456 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.563 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 21.6 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 23' ' ' TYR . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 105' ' ' PHE . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' CD1' ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 15.4 m170 -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CD2' HD21 ' A' ' 44' ' ' LEU . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 pttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 ' HB ' ' CG1' ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 23' ' ' TYR . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 68.2 t60 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.488 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' LEU . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 105' ' ' PHE . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 73' ' ' VAL . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.514 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' N ' HE22 ' A' ' 49' ' ' GLN . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' THR . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.728 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.582 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 105' ' ' PHE . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' N ' HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' HG11 ' A' ' 84' ' ' VAL . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.423 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.514 ' CE2' HD22 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.488 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.499 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.9 t-160 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.499 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 5.0 mtmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 105' ' ' PHE . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 73' ' ' VAL . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 109' ' ' PHE . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.525 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 3.3 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 85' ' ' SER . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 84' ' ' VAL . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.441 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 8.7 m170 -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 44' ' ' LEU . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t-160 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CG ' HD21 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 20.1 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 31' ' ' LEU . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.522 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 73' ' ' VAL . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' THR . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.454 HG21 ' CG1' ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.416 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.522 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 23' ' ' TYR . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.551 ' CH2' HD13 ' A' ' 102' ' ' LEU . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' A' ' 73' ' ' VAL . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' A' ' 52' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' NE2' ' A' ' 49' ' ' GLN . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 85' ' ' SER . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' HG13 ' A' ' 84' ' ' VAL . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ALA . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.424 ' C ' HG23 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.459 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CH2' ' A' ' 35' ' ' TRP . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.5 m170 -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' LEU . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.0 t-80 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.415 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 15.5 ptmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 23' ' ' TYR . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.552 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' CD2' ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' NE2' ' A' ' 49' ' ' GLN . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' HD21 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 90' ' ' VAL . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.794 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 101' ' ' TYR . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.572 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 62.2 m-20 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' N ' ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.461 ' N ' HG11 ' A' ' 84' ' ' VAL . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.445 ' CG2' HD12 ' A' ' 64' ' ' LEU . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.526 ' CE2' HD22 ' A' ' 71' ' ' LEU . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CD2' HD23 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 18.7 t-80 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.4 pttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' HD11 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 105' ' ' PHE . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 73' ' ' VAL . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CG ' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.462 ' NE2' HD13 ' A' ' 52' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' NE2' ' A' ' 49' ' ' GLN . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' HD21 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.587 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' THR . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.515 ' CE2' HD22 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 44' ' ' LEU . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 10.1 t-160 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.513 ' CG ' HD21 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.528 ' CD1' HG22 ' A' ' 26' ' ' VAL . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' CD1' ' A' ' 23' ' ' TYR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 102' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' CE3' ' A' ' 35' ' ' TRP . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 73' ' ' VAL . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' OE2' ' A' ' 77' ' ' GLU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' LEU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 53' ' ' LEU . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLU . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 35.4 m-80 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.438 ' OE2' ' NE2' ' A' ' 49' ' ' GLN . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 105' ' ' PHE . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' THR . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.448 ' N ' HG12 ' A' ' 84' ' ' VAL . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 14.9 m170 -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.426 ' CE2' HD13 ' A' ' 78' ' ' LEU . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.541 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 25.2 t-80 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.457 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 73' ' ' VAL . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' NE2' ' A' ' 49' ' ' GLN . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.798 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.683 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.491 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 19.8 t-80 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.455 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.568 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.3 ptmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 31' ' ' LEU . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' CG ' ' A' ' 23' ' ' TYR . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 13' ' ' LEU . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.432 HD22 ' CG ' ' A' ' 105' ' ' PHE . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 73' ' ' VAL . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 56' ' ' SER . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.789 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 101' ' ' TYR . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CD ' HD22 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 89' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' CG1' ' A' ' 84' ' ' VAL . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.457 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.569 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CE2' HG22 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.552 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 12.8 t-160 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 9.6 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 26' ' ' VAL . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 31' ' ' LEU . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 40' ' ' ALA . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 73' ' ' VAL . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' NE2' ' OE2' ' A' ' 77' ' ' GLU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' LEU . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.805 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 101' ' ' TYR . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.482 ' OE2' ' NE2' ' A' ' 49' ' ' GLN . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD13 ' CE2' ' A' ' 105' ' ' PHE . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.406 HG23 ' CB ' ' A' ' 104' ' ' HIS . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 97' ' ' GLY . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 ' CG2' HD12 ' A' ' 64' ' ' LEU . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.455 ' C ' ' CG2' ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.554 ' CE2' HD23 ' A' ' 71' ' ' LEU . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.449 HD11 ' CZ2' ' A' ' 35' ' ' TRP . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 104' ' ' HIS . 6.9 m170 -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.5 t-160 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 13.6 mtmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' ALA . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' CG ' HG22 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 HG22 ' CG ' ' A' ' 23' ' ' TYR . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.477 HG12 ' CZ2' ' A' ' 35' ' ' TRP . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 105' ' ' PHE . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 5.0 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HD23 ' A' ' 53' ' ' LEU . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 90' ' ' VAL . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LEU . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.783 ' CZ3' ' CE2' ' A' ' 46' ' ' TYR . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 50.1 m-20 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' ' C ' ' A' ' 97' ' ' GLY . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' HG11 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 64' ' ' LEU . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' ' CG2' ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.44 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.402 ' N ' ' CD2' ' A' ' 104' ' ' HIS . 9.6 m170 -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.525 ' CD2' HD22 ' A' ' 44' ' ' LEU . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 12.6 t-80 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.561 ' CD2' HD21 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 9.2 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.56 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.56 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' LEU . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 105' ' ' PHE . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HG12 ' A' ' 73' ' ' VAL . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' NE2' HD11 ' A' ' 52' ' ' LEU . 7.4 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD12 ' CG1' ' A' ' 73' ' ' VAL . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' CE2' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' N ' HG12 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.554 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 44' ' ' LEU . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 20.1 t-160 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' HIS . 19.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.457 ' CB ' HD11 ' A' ' 44' ' ' LEU . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 23' ' ' TYR . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' CZ2' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 HD22 ' CE2' ' A' ' 101' ' ' TYR . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 105' ' ' PHE . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' A' ' 52' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' NE2' ' A' ' 49' ' ' GLN . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 90' ' ' VAL . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 85' ' ' SER . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 84' ' ' VAL . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.452 ' CE2' HD22 ' A' ' 41' ' ' LEU . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.563 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 7.5 m170 -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 44' ' ' LEU . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.526 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 10.1 t-160 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 13.9 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 102' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 105' ' ' PHE . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG1' HG11 ' A' ' 73' ' ' VAL . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' CD ' ' A' ' 49' ' ' GLN . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.47 ' N ' HD21 ' A' ' 53' ' ' LEU . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 ' CG2' HD11 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CE2' HD21 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 35' ' ' TRP . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.521 ' CD2' HD23 ' A' ' 44' ' ' LEU . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.531 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.3 t-160 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 11.1 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.613 ' CG ' ' CD2' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' NH2' ' A' ' 14' ' ' ARG . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.407 ' HB ' ' CG1' ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG1' ' HB ' ' A' ' 20' ' ' THR . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 31' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' TRP . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.56 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 105' ' ' PHE . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 73' ' ' VAL . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CG ' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.426 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 ' CD ' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.548 HD21 ' CE2' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.574 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.442 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.442 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 HG11 ' N ' ' A' ' 85' ' ' SER . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG11 ' A' ' 84' ' ' VAL . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' A' ' 64' ' ' LEU . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.416 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.548 ' CE2' HD21 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.2 m170 -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HG23 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CD2' ' CG ' ' A' ' 15' ' ' TRP . 9.2 t-160 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.504 ' CG ' HD23 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 23' ' ' TYR . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.0 p-80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.566 ' CH2' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.614 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.446 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.458 ' CE1' ' HA ' ' A' ' 82' ' ' PRO . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.566 HD21 ' CH2' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.0 m170 -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 102' ' ' LEU . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' ALA . 10.6 t-160 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 24.2 pttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 23' ' ' TYR . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.474 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' HG13 ' A' ' 73' ' ' VAL . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 73' ' ' VAL . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' HD21 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TRP . . . . . 0.742 ' CH2' ' CZ ' ' A' ' 46' ' ' TYR . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.596 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 85' ' ' SER . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 84' ' ' VAL . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.404 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.487 ' CG ' HD21 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 13.3 mttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -114.02 98.27 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -166.93 150.47 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.94 -105.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 43.7 p -104.82 -14.82 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 71.1 m 34.75 49.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -52.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' CG2' ' HB3' ' A' ' 10' ' ' GLU . 8.8 t -79.61 171.33 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.073 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.03 -20.74 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HB3' ' CG2' ' A' ' 8' ' ' THR . 2.2 tp10 -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG21 ' CD1' ' A' ' 23' ' ' TYR . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' CD1' ' A' ' 102' ' ' LEU . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 39' ' ' LEU . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.483 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CD2' ' A' ' 105' ' ' PHE . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' HG12 ' A' ' 73' ' ' VAL . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.46 ' NE2' HD13 ' A' ' 52' ' ' LEU . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD13 ' NE2' ' A' ' 49' ' ' GLN . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 53' ' ' LEU . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.473 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 65' ' ' GLU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 67' ' ' THR . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.792 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.565 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.489 HD12 ' CE2' ' A' ' 105' ' ' PHE . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.464 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.489 ' CE2' HD12 ' A' ' 78' ' ' LEU . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.503 ' CG ' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.61 166.63 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.9 t -168.09 147.85 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.35 -157.51 20.83 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 136.04 32.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -79.15 -58.71 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 m -112.29 92.37 4.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -43.86 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -107.97 89.45 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.82 146.4 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -151.67 141.56 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.33 118.77 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.39 58.75 10.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.9 m -132.72 128.11 36.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.134 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -60.51 -36.88 79.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -43.48 -45.89 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.76 -35.64 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.449 HD11 ' CD1' ' A' ' 31' ' ' LEU . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.557 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 13' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.563 ' CZ3' HD22 ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.512 HD21 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.492 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.405 HD11 ' CG2' ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.454 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.597 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 74' ' ' ALA . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 91' ' ' ALA . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' ALA . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.456 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.563 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.422 ' CD1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.512 ' CG ' HD21 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 21.6 mttp -59.25 118.24 5.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.6 p -172.39 160.71 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.04 177.89 40.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.12 34.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.376 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.1 p -101.85 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.0 p -99.15 163.45 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m 59.21 43.0 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -139.49 118.81 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.0 89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -102.16 138.04 39.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -90.67 140.2 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 83.64 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -167.31 154.23 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.02 22.87 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.12 -57.88 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -48.55 -44.58 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.537 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 23' ' ' TYR . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.564 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' CD2' ' A' ' 105' ' ' PHE . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.564 HD23 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' CD1' ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.556 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' N ' HD12 ' A' ' 58' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.413 ' CG2' HD13 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.791 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.413 HD13 ' CG2' ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.623 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.47 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.445 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' N ' HG22 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.508 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 15.4 m170 -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CD2' HD21 ' A' ' 44' ' ' LEU . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 8.2 pttp -108.22 169.35 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.1 t -148.83 147.2 28.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.6 -166.79 15.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 128.42 15.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.2 p -70.89 133.83 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -131.02 176.82 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -90.0 89.29 7.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -43.67 106.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 125.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -84.14 123.33 29.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.26 -48.54 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.03 94.93 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.4 t -159.53 155.13 25.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -47.32 -22.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -46.22 -46.91 17.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.04 -45.7 71.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 ' HB ' ' CG1' ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.569 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 HG23 ' CG ' ' A' ' 23' ' ' TYR . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 68.2 t60 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.488 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' LEU . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.533 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 105' ' ' PHE . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' HG12 ' A' ' 73' ' ' VAL . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.56 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.514 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' N ' HE22 ' A' ' 49' ' ' GLN . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.495 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 67' ' ' THR . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.728 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.514 HD22 ' CE2' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.582 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD13 ' CE2' ' A' ' 105' ' ' PHE . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.56 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' N ' HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' HG11 ' A' ' 84' ' ' VAL . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.423 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.514 ' CE2' HD22 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.488 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.499 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.9 t-160 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.56 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.499 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 5.0 mtmp? -71.71 131.31 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -160.06 174.19 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.48 -153.63 17.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -10.61 28.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.2 t -85.0 136.71 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 70.36 41.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -121.51 161.68 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.04 110.19 0.51 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.07 90.34 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -54.69 -42.77 71.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.5 97.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.5 t -146.97 155.14 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.701 0.286 . . . . 0.0 111.18 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -47.47 -23.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -44.41 -53.14 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.1 -40.04 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.548 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 105' ' ' PHE . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' HG11 ' A' ' 73' ' ' VAL . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD21 ' CG ' ' A' ' 109' ' ' PHE . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.525 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.477 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 3.3 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 85' ' ' SER . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 84' ' ' VAL . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.414 ' C ' HG23 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.441 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 8.7 m170 -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 44' ' ' LEU . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.561 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t-160 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CG ' HD21 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 20.1 mtmt -70.7 122.21 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 p -152.35 -179.53 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.82 -171.81 13.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -27.57 26.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.4 m 62.51 42.25 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 82.3 p -127.09 150.2 49.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -147.23 163.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -136.09 119.17 16.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.84 111.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -80.8 149.45 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -115.12 1.73 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.97 67.3 1.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLN . 18.8 m -146.41 144.87 30.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' LEU . 71.5 mt-30 -37.06 -39.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 3.7 tm-20 -35.11 -59.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 31' ' ' LEU . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.563 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 13' ' ' LEU . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.522 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD11 ' CG1' ' A' ' 73' ' ' VAL . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.494 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.436 ' CG ' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' THR . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.408 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 HG21 ' CG1' ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.416 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.522 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.0 m-70 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.505 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -61.25 -49.05 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -73.76 101.35 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.64 -157.59 21.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -4.89 14.94 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -64.86 109.53 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.8 t -50.6 159.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -55.55 -54.63 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.68 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.07 -86.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.5 47.16 23.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -126.0 115.2 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.74 -50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 9' ' ' GLN . 13.4 m -85.09 144.56 28.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.116 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.419 ' N ' HG22 ' A' ' 8' ' ' THR . 8.7 pm0 -87.18 25.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -66.62 -62.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.53 -42.62 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.461 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.571 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.571 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG22 ' CD1' ' A' ' 23' ' ' TYR . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.455 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.551 ' CH2' HD13 ' A' ' 102' ' ' LEU . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.472 ' CG1' HG12 ' A' ' 73' ' ' VAL . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.471 ' NE2' HD11 ' A' ' 52' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD11 ' NE2' ' A' ' 49' ' ' GLN . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.468 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.589 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 85' ' ' SER . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.453 ' N ' HG13 ' A' ' 84' ' ' VAL . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 91' ' ' ALA . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.424 ' C ' HG23 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.459 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD13 ' CH2' ' A' ' 35' ' ' TRP . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.5 m170 -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 102' ' ' LEU . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.0 t-80 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.415 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 15.5 ptmt -112.53 -42.58 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 110' ' ' LYS . 87.9 p 37.38 41.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.44 -158.13 3.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -15.56 37.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 15.7 t -36.7 -57.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.0 m -49.96 100.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -106.72 -47.38 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.69 127.77 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.51 -168.06 43.78 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -122.95 -46.98 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -125.35 137.35 54.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.53 108.46 1.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.0 t -149.15 177.82 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.195 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -21.5 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -48.99 -52.99 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.12 -35.52 71.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.567 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 23' ' ' TYR . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.552 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' CYS . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.551 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' N ' ' O ' ' A' ' 39' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.558 HD23 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' OE1' ' CD2' ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD11 ' NE2' ' A' ' 49' ' ' GLN . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.449 ' N ' HD21 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 HD12 ' CG2' ' A' ' 90' ' ' VAL . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.422 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.794 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 101' ' ' TYR . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.572 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.454 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 62.2 m-20 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 ' CD2' ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG11 ' N ' ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.461 ' N ' HG11 ' A' ' 84' ' ' VAL . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.445 ' CG2' HD12 ' A' ' 64' ' ' LEU . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.471 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.526 ' CE2' HD22 ' A' ' 71' ' ' LEU . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.552 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.558 ' CD2' HD23 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.403 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 18.7 t-80 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.552 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.403 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.4 pttp -106.6 58.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -94.02 157.14 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.25 158.92 25.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 93.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.6 m -55.81 103.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -55.76 -59.85 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -85.64 123.04 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -71.37 -52.65 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -74.49 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -139.82 124.36 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -81.81 -50.7 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.34 67.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' OG1' ' N ' ' A' ' 9' ' ' GLN . 1.4 t -144.33 173.72 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.692 0.282 . . . . 0.0 111.204 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' OG1' ' A' ' 8' ' ' THR . 1.5 mp0 -57.74 -19.05 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.461 ' OE2' ' NE ' ' A' ' 14' ' ' ARG . 8.2 tp10 -55.74 -38.69 70.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.05 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 10' ' ' GLU . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.411 ' CD1' HD11 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.45 ' N ' ' O ' ' A' ' 39' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.54 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' A' ' 105' ' ' PHE . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 73' ' ' VAL . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.513 HD21 ' CG ' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' NE2' HD13 ' A' ' 52' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' NE2' ' A' ' 49' ' ' GLN . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.474 ' N ' HD21 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.801 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.515 HD22 ' CE2' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.587 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.439 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' CG ' HD23 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.421 ' O ' ' C ' ' A' ' 81' ' ' THR . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 80' ' ' ILE . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.467 ' CG2' HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.468 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.515 ' CE2' HD22 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.569 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.564 ' CD2' HD21 ' A' ' 44' ' ' LEU . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 10.1 t-160 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.513 ' CG ' HD21 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -113.78 166.85 11.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -174.39 152.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.32 164.25 8.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -87.2 -57.79 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -161.85 153.03 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -102.68 94.59 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -48.36 125.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.47 55.08 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -151.35 134.95 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -150.94 160.83 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.32 80.48 0.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' GLU . 14.4 m -138.67 143.97 39.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.767 0.318 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -36.65 -33.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.8 tp10 -42.35 -58.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -44.3 -36.01 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.541 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.528 ' CD1' HG22 ' A' ' 26' ' ' VAL . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.528 HG22 ' CD1' ' A' ' 23' ' ' TYR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CZ3' HD22 ' A' ' 102' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.541 ' HB2' ' CE3' ' A' ' 35' ' ' TRP . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.462 ' CG1' HG13 ' A' ' 73' ' ' VAL . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' OE2' ' A' ' 77' ' ' GLU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' A' ' 53' ' ' LEU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' N ' HD22 ' A' ' 53' ' ' LEU . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.537 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 65' ' ' GLU . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.788 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.416 HD22 ' CE2' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.609 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.448 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 35.4 m-80 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' OE2' ' NE2' ' A' ' 49' ' ' GLN . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 105' ' ' PHE . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 81' ' ' THR . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.458 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.448 ' N ' HG12 ' A' ' 84' ' ' VAL . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 35' ' ' TRP . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 14.9 m170 -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.426 ' CE2' HD13 ' A' ' 78' ' ' LEU . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.541 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 25.2 t-80 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.457 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt -112.22 67.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -103.18 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 169.7 8.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.721 2.28 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -116.37 43.36 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -118.02 89.09 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -153.54 132.59 12.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -62.36 -58.61 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.11 -104.88 0.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m 47.61 42.8 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.08 170.73 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.95 50.17 3.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.05 166.48 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -101.31 25.01 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -66.92 -45.49 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.556 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.543 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.463 ' CG1' HG12 ' A' ' 73' ' ' VAL . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' NE2' ' A' ' 49' ' ' GLN . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.451 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.798 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.415 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.469 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.683 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.491 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 19.8 t-80 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.455 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.568 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.3 ptmm? -114.08 135.12 54.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.8 t -120.25 85.09 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.799 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.43 -157.82 29.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -178.73 2.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.8 t -122.97 -49.65 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 m -54.38 -55.24 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -64.96 -55.77 17.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -46.4 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.61 164.63 11.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -83.69 44.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 m -45.57 -41.35 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.52 58.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.96 157.6 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.708 0.289 . . . . 0.0 111.156 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' NE2' HD12 ' A' ' 99' ' ' ILE . 20.5 mt-30 -82.67 -32.37 28.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -43.26 -55.34 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -57.46 -37.82 73.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 31' ' ' LEU . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.509 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG23 ' CG ' ' A' ' 23' ' ' TYR . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 13' ' ' LEU . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.569 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.432 HD22 ' CG ' ' A' ' 105' ' ' PHE . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 73' ' ' VAL . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.411 HD22 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 56' ' ' SER . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.789 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.449 HD22 ' CE2' ' A' ' 101' ' ' TYR . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.621 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.411 ' CD ' HD22 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.445 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' HG23 ' A' ' 89' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.463 HG23 ' CG1' ' A' ' 84' ' ' VAL . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.457 HD12 ' NE2' ' A' ' 9' ' ' GLN . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.457 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.569 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.47 ' CE2' HG22 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.552 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 12.8 t-160 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 9.6 mttp -68.79 -41.72 78.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.9 p -78.22 110.98 13.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.98 -170.69 27.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.555 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -14.78 36.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -78.07 -56.14 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -44.87 123.66 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -67.28 135.71 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.36 107.27 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.04 82.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -117.98 141.25 48.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -145.63 165.71 27.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.8 -152.79 21.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.8 t -48.66 161.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -87.11 22.57 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -66.86 -51.89 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.64 -45.64 88.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.519 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.574 ' CD1' HG23 ' A' ' 26' ' ' VAL . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.56 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.574 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD11 ' N ' ' A' ' 31' ' ' LEU . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.452 ' CE3' ' HB3' ' A' ' 40' ' ' ALA . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' HB3' ' CE3' ' A' ' 35' ' ' TRP . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD21 ' CD2' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HG13 ' A' ' 73' ' ' VAL . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.502 HD21 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' NE2' ' OE2' ' A' ' 77' ' ' GLU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 53' ' ' LEU . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.484 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.571 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.805 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 101' ' ' TYR . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.569 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' OE2' ' NE2' ' A' ' 49' ' ' GLN . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD13 ' CE2' ' A' ' 105' ' ' PHE . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.406 HG23 ' CB ' ' A' ' 104' ' ' HIS . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' CG2' ' C ' ' A' ' 97' ' ' GLY . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' CG2' HD12 ' A' ' 64' ' ' LEU . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.455 ' C ' ' CG2' ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.554 ' CE2' HD23 ' A' ' 71' ' ' LEU . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.449 HD11 ' CZ2' ' A' ' 35' ' ' TRP . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 104' ' ' HIS . 6.9 m170 -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CD2' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.5 t-160 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.502 ' CD2' HD21 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 13.6 mtmm -68.81 168.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t 38.59 37.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.81 -160.31 25.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.3 t -112.97 101.85 9.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.3 p -76.29 128.23 34.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.566 -0.213 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -73.6 171.93 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.43 175.93 6.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 172.88 38.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -65.24 132.75 49.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -99.2 129.65 45.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 53.0 3.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -149.01 142.43 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.716 0.294 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -88.95 42.37 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -86.09 -56.01 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.71 -31.78 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.514 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 21' ' ' ALA . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' CG ' HG22 ' A' ' 26' ' ' VAL . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.498 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 HG22 ' CG ' ' A' ' 23' ' ' TYR . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.477 HG12 ' CZ2' ' A' ' 35' ' ' TRP . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.491 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.559 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' A' ' 105' ' ' PHE . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 5.0 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.482 ' N ' HD23 ' A' ' 53' ' ' LEU . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 HD13 ' CG2' ' A' ' 90' ' ' VAL . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 64' ' ' LEU . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.783 ' CZ3' ' CE2' ' A' ' 46' ' ' TYR . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.409 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 50.1 m-20 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.451 ' CG ' HD23 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' ' C ' ' A' ' 97' ' ' GLY . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.457 ' N ' HG11 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB1' ' CG1' ' A' ' 84' ' ' VAL . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.46 ' CG2' HD13 ' A' ' 64' ' ' LEU . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' ' CG2' ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.44 ' HB2' ' CG1' ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.402 ' N ' ' CD2' ' A' ' 104' ' ' HIS . 9.6 m170 -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.525 ' CD2' HD22 ' A' ' 44' ' ' LEU . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.514 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 12.6 t-80 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.561 ' CD2' HD21 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.416 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 9.2 pttp -109.21 140.27 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.6 t 60.24 38.99 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.34 178.52 9.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -6.15 17.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.278 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.4 t -117.34 104.73 11.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.4 p -87.62 140.52 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.502 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -133.92 85.32 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -81.2 -50.1 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.47 64.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -139.5 134.76 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -150.25 177.47 9.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.92 -88.9 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 t -42.49 158.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -84.33 23.28 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -69.2 -45.31 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -69.06 -7.95 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.451 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.56 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD22 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.56 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 37' ' ' ASP . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' LEU . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 105' ' ' PHE . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' HG12 ' A' ' 73' ' ' VAL . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.586 ' CD2' ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' NE2' HD11 ' A' ' 52' ' ' LEU . 7.4 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD12 ' CG1' ' A' ' 73' ' ' VAL . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.802 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.512 HD21 ' CE2' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG22 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.412 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG12 ' N ' ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' N ' HG12 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.46 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 12.1 tp60 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.512 ' CE2' HD21 ' A' ' 71' ' ' LEU . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CD2' HD22 ' A' ' 44' ' ' LEU . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 20.1 t-160 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' ' CD2' ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' HIS . 19.2 mmtt -56.46 -35.53 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 m 50.59 51.93 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.12 171.6 20.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.274 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -70.89 124.35 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -98.25 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -130.98 124.32 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -166.89 170.14 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.93 -104.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -91.46 120.47 32.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -83.16 -49.63 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.85 75.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 9' ' ' GLN . 2.0 t -163.47 176.94 9.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.17 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 8' ' ' THR . 24.0 mp0 -61.15 -13.5 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.55 -34.41 75.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -79.12 -33.42 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.526 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.457 ' CB ' HD11 ' A' ' 44' ' ' LEU . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 23' ' ' TYR . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' CZ2' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.563 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.563 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 HD22 ' CE2' ' A' ' 101' ' ' TYR . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.551 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.524 HD21 ' CD2' ' A' ' 105' ' ' PHE . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' HD11 ' A' ' 52' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD11 ' NE2' ' A' ' 49' ' ' GLN . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' CG2' ' A' ' 90' ' ' VAL . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.795 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' HG3' ' CD1' ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' N ' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG11 ' N ' ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.462 HG11 ' N ' ' A' ' 85' ' ' SER . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.462 ' N ' HG11 ' A' ' 84' ' ' VAL . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.457 ' CG2' HD13 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.46 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 ' N ' HG22 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.452 ' CE2' HD22 ' A' ' 41' ' ' LEU . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.563 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 7.5 m170 -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.524 ' CD2' HD21 ' A' ' 44' ' ' LEU . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.526 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 10.1 t-160 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.514 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 13.9 pttp -115.39 -17.42 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -113.08 140.35 47.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.77 -158.15 7.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 124.14 10.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p -138.8 164.81 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.8 t -150.34 151.05 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -132.55 100.28 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.755 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -101.96 149.15 24.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 106.57 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -92.48 90.28 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.375 . . . . 0.0 110.782 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -95.77 77.86 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.5 52.48 1.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.4 m -127.2 136.4 51.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.218 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.02 -34.02 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -47.03 -47.03 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.47 -33.22 75.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CE1' HD23 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.509 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CH2' HD12 ' A' ' 102' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.555 HD23 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD23 ' CD2' ' A' ' 105' ' ' PHE . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 ' CG1' HG11 ' A' ' 73' ' ' VAL . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.528 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' CD ' ' A' ' 49' ' ' GLN . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.47 ' N ' HD21 ' A' ' 53' ' ' LEU . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.419 HD11 ' CG2' ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.8 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG23 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.466 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 ' CG2' HD11 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' CE2' HD21 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.571 HD12 ' CH2' ' A' ' 35' ' ' TRP . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.521 ' CD2' HD23 ' A' ' 44' ' ' LEU . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.531 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.3 t-160 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.528 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 11.1 pttp -113.73 165.54 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.1 m 45.25 40.77 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.96 -158.59 34.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -4.73 14.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.5 t -76.3 81.86 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.6 p -121.78 120.68 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -63.43 149.62 45.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -79.55 131.13 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.75 -39.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -82.43 97.87 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.72 -130.45 1.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -98.77 142.87 29.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 111.079 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -45.59 -24.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 17.8 pt-20 -45.3 -48.2 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -48.52 -36.96 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' CD2' ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.613 ' CG ' ' CD2' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' OE1' ' NH2' ' A' ' 14' ' ' ARG . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.407 ' HB ' ' CG1' ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CD2' ' HB1' ' A' ' 43' ' ' ALA . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' CG1' ' HB ' ' A' ' 20' ' ' THR . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD11 ' N ' ' A' ' 31' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.562 ' CZ3' HD23 ' A' ' 102' ' ' LEU . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 35' ' ' TRP . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' CYS . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.56 ' HB1' ' CD2' ' A' ' 23' ' ' TYR . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 105' ' ' PHE . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' CG1' HG13 ' A' ' 73' ' ' VAL . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.504 HD23 ' CG ' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.426 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD11 ' CD ' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.504 ' N ' HD12 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.403 ' CD1' HG23 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.805 ' CH2' ' CE1' ' A' ' 46' ' ' TYR . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.548 HD21 ' CE2' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.574 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.562 HG23 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.442 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.442 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 101' ' ' TYR . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 HG11 ' N ' ' A' ' 85' ' ' SER . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.464 ' N ' HG11 ' A' ' 84' ' ' VAL . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' A' ' 64' ' ' LEU . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.416 ' C ' HG22 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.548 ' CE2' HD21 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD23 ' CZ3' ' A' ' 35' ' ' TRP . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.2 m170 -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HG23 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CD2' ' CG ' ' A' ' 15' ' ' TRP . 9.2 t-160 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.504 ' CG ' HD23 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.1 pttp -112.66 21.74 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.3 m -47.57 124.58 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.04 171.88 12.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 -177.67 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 t -93.85 135.07 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 p -136.58 132.46 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 p -45.06 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.796 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -105.95 -53.73 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.03 -44.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -100.49 135.72 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -99.66 147.45 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.18 -122.4 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -52.39 175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.144 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -56.28 -19.66 15.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -48.46 -46.88 38.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -45.35 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 23' ' ' TYR . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.0 p-80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 HG13 ' CZ2' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.566 ' CH2' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.555 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' HG11 ' A' ' 73' ' ' VAL . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.484 ' CD2' ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.466 ' HG ' ' NE2' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.557 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.793 ' CZ2' ' CE1' ' A' ' 46' ' ' TYR . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.614 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 105' ' ' PHE . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.458 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' HA3' ' A' ' 97' ' ' GLY . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.472 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.446 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.458 ' CE1' ' HA ' ' A' ' 82' ' ' PRO . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.566 HD21 ' CH2' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.0 m170 -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.474 ' N ' ' O ' ' A' ' 102' ' ' LEU . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' ALA . 10.6 t-160 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.484 ' CG ' ' CD2' ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.41 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 24.2 pttm -113.04 135.16 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t 66.59 42.24 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.91 170.36 43.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.23 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -43.7 159.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 t -98.9 145.83 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -113.88 157.61 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -93.71 -45.68 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -177.45 21.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -139.27 170.29 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -85.35 158.8 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.08 -90.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -62.13 160.34 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.765 0.316 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.35 23.44 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.49 -60.8 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -55.62 -18.08 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.52 ' CZ ' HD21 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG21 ' CG ' ' A' ' 23' ' ' TYR . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.408 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.474 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.474 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HB3' ' CD2' ' A' ' 23' ' ' TYR . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.555 HD23 ' CD2' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.46 ' CG1' HG13 ' A' ' 73' ' ' VAL . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD11 ' CG1' ' A' ' 73' ' ' VAL . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.481 ' N ' HD21 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.569 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.742 ' CH2' ' CZ ' ' A' ' 46' ' ' TYR . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.538 HD21 ' CE2' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.596 ' CG2' ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 85' ' ' SER . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.461 ' N ' HG12 ' A' ' 84' ' ' VAL . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.455 ' NE2' ' HB1' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.462 ' CG2' HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' HB1' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.404 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' CE2' HD21 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.49 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.487 ' CG ' HD21 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.49 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 13.3 mttp -67.72 117.38 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -138.48 126.27 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.42 164.85 14.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 82.8 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 m -152.7 -177.69 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 t -170.52 134.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 40' ' ' ALA . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.422 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.68 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.691 HD22 ' CD2' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' HD22 ' A' ' 61' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD23 ' OH ' ' A' ' 101' ' ' TYR . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.713 ' HG3' HD11 ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 104' ' ' HIS . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG13 HG23 ' A' ' 84' ' ' VAL . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.802 HG23 HG13 ' A' ' 83' ' ' VAL . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 84' ' ' VAL . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 64' ' ' LEU . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.562 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' N ' HG21 ' A' ' 84' ' ' VAL . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.715 ' OH ' HD23 ' A' ' 71' ' ' LEU . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 43' ' ' ALA . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG13 ' NE1' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' HD23 ' A' ' 58' ' ' LEU . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 105' ' ' PHE . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 41' ' ' LEU . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 HE22 ' CG ' ' A' ' 77' ' ' GLU . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.605 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.855 ' CE2' HG21 ' A' ' 73' ' ' VAL . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.53 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.855 HG21 ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' HD11 ' A' ' 52' ' ' LEU . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.736 HG21 ' CE1' ' A' ' 105' ' ' PHE . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 HG12 ' A' ' 84' ' ' VAL . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 64' ' ' LEU . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.558 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB2' HG12 ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.631 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t60 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.594 ' CG ' HD22 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 21.6 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 102' ' ' LEU . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.835 HG21 ' HB2' ' A' ' 43' ' ' ALA . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' HD23 ' A' ' 58' ' ' LEU . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' A' ' 61' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD12 HG21 ' A' ' 90' ' ' VAL . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 HD12 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.61 HD12 HG22 ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' A' ' 104' ' ' HIS . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HG23 ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.857 HG23 HG13 ' A' ' 83' ' ' VAL . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 64' ' ' LEU . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG21 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' A' ' 12' ' ' LEU . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.511 ' HB3' HD12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.79 ' CD2' HD22 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 8.2 pttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 31' ' ' LEU . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.685 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CD1' HG23 ' A' ' 26' ' ' VAL . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.888 HG21 ' HB2' ' A' ' 43' ' ' ALA . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 32.0 t-80 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 13' ' ' LEU . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.543 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.608 ' N ' HD22 ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.822 ' CE2' HG21 ' A' ' 73' ' ' VAL . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.591 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.82 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ALA . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 64' ' ' LEU . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.551 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.537 ' N ' HG21 ' A' ' 84' ' ' VAL . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.607 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' PHE . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.485 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 6.2 t60 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.866 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.485 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mtmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 31' ' ' LEU . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG11 ' A' ' 26' ' ' VAL . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 43' ' ' ALA . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.406 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' ARG . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 14.7 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 65' ' ' GLU . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 90' ' ' VAL . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.862 ' HB3' HD22 ' A' ' 61' ' ' LEU . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.887 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD23 ' OH ' ' A' ' 101' ' ' TYR . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 52' ' ' LEU . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG23 HG13 ' A' ' 83' ' ' VAL . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 84' ' ' VAL . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 36' ' ' ALA . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.552 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' HG21 ' A' ' 84' ' ' VAL . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.523 ' OH ' HD23 ' A' ' 71' ' ' LEU . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 80' ' ' ILE . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 5.7 t60 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CG ' HD22 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 20.1 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.449 ' HB ' HG11 ' A' ' 26' ' ' VAL . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 43' ' ' ALA . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.517 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' NE1' HG13 ' A' ' 28' ' ' VAL . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.661 HD21 ' CD ' ' A' ' 77' ' ' GLU . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.887 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 HG21 ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.661 ' CD ' HD21 ' A' ' 52' ' ' LEU . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' HIS . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.436 HG23 ' HD2' ' A' ' 82' ' ' PRO . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.848 HG13 HG23 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.848 HG23 HG13 ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.433 HG23 HG12 ' A' ' 84' ' ' VAL . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.833 HG21 HD12 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.497 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.518 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 80' ' ' ILE . 38.2 m80 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 HD12 ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 39' ' ' LEU . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.76 ' HB3' HG22 ' A' ' 26' ' ' VAL . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 41' ' ' LEU . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.678 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 71' ' ' LEU . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.836 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 67' ' ' THR . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.836 HG21 ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 52' ' ' LEU . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD23 ' OE1' ' A' ' 49' ' ' GLN . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.658 HG21 ' CE1' ' A' ' 105' ' ' PHE . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.56 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 84' ' ' VAL . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 83' ' ' VAL . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 64' ' ' LEU . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.683 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.556 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.546 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.658 ' CE1' HG21 ' A' ' 80' ' ' ILE . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.453 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 65.9 t60 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 15.5 ptmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 43' ' ' ALA . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' A' ' 35' ' ' TRP . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' A' ' 28' ' ' VAL . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.561 ' SG ' HD23 ' A' ' 58' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.565 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD22 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.42 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.85 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 86' ' ' ALA . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' TRP . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.85 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.618 ' HG3' HD21 ' A' ' 52' ' ' LEU . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 105' ' ' PHE . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 82' ' ' PRO . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.867 HG23 HG13 ' A' ' 83' ' ' VAL . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' GLN . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 96' ' ' LEU . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.594 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.4 pttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.675 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.521 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.474 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 20' ' ' THR . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 35' ' ' TRP . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD13 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 41' ' ' LEU . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.662 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD11 ' HG3' ' A' ' 77' ' ' GLU . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.581 ' N ' HD22 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.936 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 61' ' ' LEU . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CE2' HG21 ' A' ' 73' ' ' VAL . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD23 ' OH ' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD23 ' OE1' ' A' ' 49' ' ' GLN . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 104' ' ' HIS . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 82' ' ' PRO . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.822 HG23 HG13 ' A' ' 83' ' ' VAL . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 64' ' ' LEU . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.543 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.562 ' OH ' HD23 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' HB3' HG23 ' A' ' 80' ' ' ILE . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 28.4 t60 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD1' HD22 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.544 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB ' ' A' ' 20' ' ' THR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.674 ' HB2' HD21 ' A' ' 98' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.614 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 90' ' ' VAL . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.882 ' CE2' HG21 ' A' ' 73' ' ' VAL . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.882 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.736 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD23 ' OE1' ' A' ' 49' ' ' GLN . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 105' ' ' PHE . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD22 ' A' ' 98' ' ' LEU . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.696 HG21 HD12 ' A' ' 64' ' ' LEU . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.559 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 35' ' ' TRP . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB2' HG12 ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 80' ' ' ILE . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 77.2 t60 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.467 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.752 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 103' ' ' SER . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 43' ' ' ALA . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' NE1' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD23 ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' LEU . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.872 HE22 ' HA3' ' A' ' 51' ' ' GLY . 4.0 tm0? -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.872 ' HA3' HE22 ' A' ' 49' ' ' GLN . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 77' ' ' GLU . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.754 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 58' ' ' LEU . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 82' ' ' PRO . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 52' ' ' LEU . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.844 HG23 HG13 ' A' ' 83' ' ' VAL . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 84' ' ' VAL . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.502 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.767 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.426 ' HB3' HD12 ' A' ' 80' ' ' ILE . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.485 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 68.1 t60 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.904 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 10.3 ptmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 102' ' ' LEU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 28' ' ' VAL . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 43' ' ' ALA . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 20' ' ' THR . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.745 ' HB2' HD21 ' A' ' 98' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.7 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 41' ' ' LEU . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.1 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD21 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.869 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 82' ' ' PRO . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.719 ' CD ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 45' ' ' VAL . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 36' ' ' ALA . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.524 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HB2' HD21 ' A' ' 12' ' ' LEU . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' CE2' HG21 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 8.9 t60 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CG ' HD22 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 9.6 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 102' ' ' LEU . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 31' ' ' LEU . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 HG21 ' A' ' 28' ' ' VAL . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 HG21 ' A' ' 20' ' ' THR . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 99' ' ' ILE . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.571 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' LEU . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.698 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' N ' HD22 ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 61' ' ' LEU . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 86' ' ' ALA . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 49' ' ' GLN . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 84' ' ' VAL . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 83' ' ' VAL . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.572 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 31' ' ' LEU . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 83' ' ' VAL . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.698 ' HB2' HD21 ' A' ' 12' ' ' LEU . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.413 ' CG ' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.51 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.4 t60 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 13.6 mtmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 102' ' ' LEU . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 31' ' ' LEU . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 28' ' ' VAL . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 39' ' ' LEU . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 HG21 ' A' ' 20' ' ' THR . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 30' ' ' ASP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' SG ' HD23 ' A' ' 58' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 11.9 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.811 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 71' ' ' LEU . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 67' ' ' THR . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.689 ' CG ' HD21 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.787 HG23 HG13 ' A' ' 83' ' ' VAL . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' HD11 ' A' ' 64' ' ' LEU . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' ALA . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.586 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG21 ' A' ' 84' ' ' VAL . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' HD21 ' A' ' 12' ' ' LEU . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 39.0 t60 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 9.2 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CD1' ' CE1' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.776 HG21 ' HB2' ' A' ' 43' ' ' ALA . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.496 HG13 ' NE1' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.806 HD23 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.806 ' NE1' HD23 ' A' ' 31' ' ' LEU . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.003 HD22 ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.783 ' HB3' HD12 ' A' ' 52' ' ' LEU . 9.1 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 HG21 ' A' ' 90' ' ' VAL . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.804 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.804 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' HD21 ' A' ' 52' ' ' LEU . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.4 tp-100 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 36' ' ' ALA . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.571 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' ' 84' ' ' VAL . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.645 ' HB2' HG12 ' A' ' 83' ' ' VAL . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.609 ' CE1' ' CD1' ' A' ' 15' ' ' TRP . 1.7 t60 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 1.003 ' CD2' HD22 ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 106' ' ' HIS . 19.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 102' ' ' LEU . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.548 HG13 ' NE1' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.515 ' OE1' HD23 ' A' ' 78' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.617 ' N ' HD22 ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 82' ' ' PRO . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ALA . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG23 HG12 ' A' ' 84' ' ' VAL . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG21 HD12 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' N ' HG21 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.594 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.708 ' HB2' HD21 ' A' ' 12' ' ' LEU . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HE2' HG22 ' A' ' 45' ' ' VAL . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 9.4 t60 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . 13.9 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 102' ' ' LEU . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' HD22 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 23' ' ' TYR . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' NE1' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB3' HD12 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.754 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.633 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.81 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD23 ' OH ' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.81 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.685 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG13 HG23 ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG23 HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HA ' HD11 ' A' ' 64' ' ' LEU . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG23 HG12 ' A' ' 84' ' ' VAL . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 35' ' ' TRP . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.708 ' OH ' HD23 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 31' ' ' LEU . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 108' ' ' ALA . 7.1 t60 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 11.1 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 31' ' ' LEU . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.413 ' CG ' ' ND1' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.534 ' HB ' HG11 ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' LEU . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 13' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.6 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.856 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.6 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.665 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.543 ' N ' HD22 ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.825 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.825 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.605 HG21 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG23 HG13 ' A' ' 83' ' ' VAL . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ALA . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 84' ' ' VAL . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 36' ' ' ALA . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.607 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 95' ' ' PRO . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 35' ' ' TRP . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.565 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.959 ' HB2' HD21 ' A' ' 12' ' ' LEU . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 109' ' ' PHE . 17.2 t60 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.704 ' CD2' HD22 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 10.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 HD12 ' A' ' 31' ' ' LEU . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 39' ' ' LEU . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 102' ' ' LEU . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 90' ' ' VAL . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 71' ' ' LEU . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.873 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 82' ' ' PRO . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.873 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.625 ' HG3' HD21 ' A' ' 52' ' ' LEU . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 105' ' ' PHE . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.855 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.855 HG23 HG13 ' A' ' 83' ' ' VAL . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' OD1' ' A' ' 94' ' ' ASP . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.531 HG23 HG12 ' A' ' 84' ' ' VAL . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.666 HG21 HD12 ' A' ' 64' ' ' LEU . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD1' ' HB1' ' A' ' 88' ' ' ALA . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 96' ' ' LEU . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.522 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.552 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.629 ' HB2' HG12 ' A' ' 83' ' ' VAL . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.699 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 80' ' ' ILE . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 110' ' ' LYS . 20.9 t60 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CG ' HD22 ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 24.2 pttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.553 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' LEU . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 58' ' ' LEU . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TRP . . . . . 0.906 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 52' ' ' LEU . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.547 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.803 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.803 HG23 HG13 ' A' ' 83' ' ' VAL . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.693 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 84' ' ' VAL . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.79 HG21 HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.566 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.617 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 13.9 t60 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 13.3 mttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -114.02 98.27 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -166.93 150.47 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.94 -105.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 43.7 p -104.82 -14.82 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 71.1 m 34.75 49.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -52.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 10' ' ' GLU . 8.8 t -79.61 171.33 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.073 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.03 -20.74 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HG23 ' A' ' 8' ' ' THR . 2.2 tp10 -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 40' ' ' ALA . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.422 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.68 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.691 HD22 ' CD2' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' HD22 ' A' ' 61' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD23 ' OH ' ' A' ' 101' ' ' TYR . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.713 ' HG3' HD11 ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 104' ' ' HIS . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG13 HG23 ' A' ' 84' ' ' VAL . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.802 HG23 HG13 ' A' ' 83' ' ' VAL . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 84' ' ' VAL . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 64' ' ' LEU . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.562 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' N ' HG21 ' A' ' 84' ' ' VAL . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.715 ' OH ' HD23 ' A' ' 71' ' ' LEU . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.61 166.63 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.9 t -168.09 147.85 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.35 -157.51 20.83 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 136.04 32.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -79.15 -58.71 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 m -112.29 92.37 4.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -43.86 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -107.97 89.45 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.82 146.4 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -151.67 141.56 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.33 118.77 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.39 58.75 10.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 10' ' ' GLU . 84.9 m -132.72 128.11 36.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -60.51 -36.88 79.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 8' ' ' THR . 22.8 tt0 -43.48 -45.89 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.76 -35.64 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 43' ' ' ALA . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG13 ' NE1' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' HD23 ' A' ' 58' ' ' LEU . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 105' ' ' PHE . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 41' ' ' LEU . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 HE22 ' CG ' ' A' ' 77' ' ' GLU . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.605 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.855 ' CE2' HG21 ' A' ' 73' ' ' VAL . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.53 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.855 HG21 ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' HD11 ' A' ' 52' ' ' LEU . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.736 HG21 ' CE1' ' A' ' 105' ' ' PHE . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 HG12 ' A' ' 84' ' ' VAL . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 64' ' ' LEU . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.558 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB2' HG12 ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.631 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t60 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.594 ' CG ' HD22 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.631 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 21.6 mttp -59.25 118.24 5.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.6 p -172.39 160.71 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.04 177.89 40.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.12 34.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.376 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.1 p -101.85 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.0 p -99.15 163.45 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m 59.21 43.0 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -139.49 118.81 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.0 89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -102.16 138.04 39.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -90.67 140.2 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 83.64 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -167.31 154.23 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.02 22.87 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.12 -57.88 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -48.55 -44.58 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 102' ' ' LEU . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.835 HG21 ' HB2' ' A' ' 43' ' ' ALA . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' HD23 ' A' ' 58' ' ' LEU . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' A' ' 61' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD12 HG21 ' A' ' 90' ' ' VAL . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 HD12 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.61 HD12 HG22 ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' A' ' 104' ' ' HIS . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HG23 ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.857 HG23 HG13 ' A' ' 83' ' ' VAL . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 64' ' ' LEU . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG21 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' A' ' 12' ' ' LEU . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.511 ' HB3' HD12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.79 ' CD2' HD22 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 8.2 pttp -108.22 169.35 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.1 t -148.83 147.2 28.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.6 -166.79 15.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 128.42 15.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.2 p -70.89 133.83 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -131.02 176.82 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -90.0 89.29 7.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -43.67 106.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 125.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -84.14 123.33 29.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.26 -48.54 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.03 94.93 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 10' ' ' GLU . 8.4 t -159.53 155.13 25.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -47.32 -22.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 8' ' ' THR . 12.5 tt0 -46.22 -46.91 17.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.04 -45.7 71.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 31' ' ' LEU . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.685 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CD1' HG23 ' A' ' 26' ' ' VAL . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.888 HG21 ' HB2' ' A' ' 43' ' ' ALA . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 32.0 t-80 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 13' ' ' LEU . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.543 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.608 ' N ' HD22 ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.822 ' CE2' HG21 ' A' ' 73' ' ' VAL . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.591 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.82 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ALA . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 64' ' ' LEU . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.551 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.537 ' N ' HG21 ' A' ' 84' ' ' VAL . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.607 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' PHE . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.485 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 6.2 t60 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.866 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.485 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 5.0 mtmp? -71.71 131.31 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -160.06 174.19 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.48 -153.63 17.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -10.61 28.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.2 t -85.0 136.71 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 70.36 41.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -121.51 161.68 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.04 110.19 0.51 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.07 90.34 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -54.69 -42.77 71.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.5 97.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' CB ' ' A' ' 10' ' ' GLU . 6.5 t -146.97 155.14 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.701 0.286 . . . . 0.0 111.18 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -47.47 -23.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CB ' HG23 ' A' ' 8' ' ' THR . 20.1 tt0 -44.41 -53.14 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.1 -40.04 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 31' ' ' LEU . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG11 ' A' ' 26' ' ' VAL . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 43' ' ' ALA . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.406 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' ARG . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 14.7 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 65' ' ' GLU . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 90' ' ' VAL . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.862 ' HB3' HD22 ' A' ' 61' ' ' LEU . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.887 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD23 ' OH ' ' A' ' 101' ' ' TYR . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 52' ' ' LEU . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG23 HG13 ' A' ' 83' ' ' VAL . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 84' ' ' VAL . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 36' ' ' ALA . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.552 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' HG21 ' A' ' 84' ' ' VAL . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.523 ' OH ' HD23 ' A' ' 71' ' ' LEU . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 80' ' ' ILE . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.55 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 5.7 t60 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CG ' HD22 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 20.1 mtmt -70.7 122.21 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 p -152.35 -179.53 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.82 -171.81 13.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -27.57 26.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.4 m 62.51 42.25 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 82.3 p -127.09 150.2 49.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -147.23 163.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -136.09 119.17 16.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.84 111.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -80.8 149.45 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -115.12 1.73 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.97 67.3 1.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLN . 18.8 m -146.41 144.87 30.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' LEU . 71.5 mt-30 -37.06 -39.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 3.7 tm-20 -35.11 -59.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.449 ' HB ' HG11 ' A' ' 26' ' ' VAL . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 43' ' ' ALA . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.517 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' NE1' HG13 ' A' ' 28' ' ' VAL . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 11.7 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.661 HD21 ' CD ' ' A' ' 77' ' ' GLU . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.887 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 HG21 ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.661 ' CD ' HD21 ' A' ' 52' ' ' LEU . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' HIS . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.436 HG23 ' HD2' ' A' ' 82' ' ' PRO . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.848 HG13 HG23 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.848 HG23 HG13 ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.433 HG23 HG12 ' A' ' 84' ' ' VAL . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.833 HG21 HD12 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.497 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.518 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 80' ' ' ILE . 38.2 m80 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -61.25 -49.05 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -73.76 101.35 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.64 -157.59 21.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -4.89 14.94 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -64.86 109.53 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.8 t -50.6 159.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -55.55 -54.63 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.68 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.07 -86.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.5 47.16 23.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -126.0 115.2 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.74 -50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m -85.09 144.56 28.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -87.18 25.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -66.62 -62.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.53 -42.62 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 HD12 ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 39' ' ' LEU . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.76 ' HB3' HG22 ' A' ' 26' ' ' VAL . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 41' ' ' LEU . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.678 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 71' ' ' LEU . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.836 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 67' ' ' THR . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.836 HG21 ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 52' ' ' LEU . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD23 ' OE1' ' A' ' 49' ' ' GLN . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.658 HG21 ' CE1' ' A' ' 105' ' ' PHE . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.56 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 84' ' ' VAL . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 83' ' ' VAL . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 64' ' ' LEU . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.683 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.556 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.546 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.658 ' CE1' HG21 ' A' ' 80' ' ' ILE . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.453 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 65.9 t60 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 15.5 ptmt -112.53 -42.58 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 110' ' ' LYS . 87.9 p 37.38 41.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.44 -158.13 3.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -15.56 37.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 15.7 t -36.7 -57.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.0 m -49.96 100.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -106.72 -47.38 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.69 127.77 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.51 -168.06 43.78 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -122.95 -46.98 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -125.35 137.35 54.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.53 108.46 1.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 10' ' ' GLU . 8.0 t -149.15 177.82 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -21.5 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.942 ' H ' HG23 ' A' ' 8' ' ' THR . 4.8 tp10 -48.99 -52.99 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.12 -35.52 71.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 43' ' ' ALA . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' A' ' 35' ' ' TRP . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' A' ' 28' ' ' VAL . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.561 ' SG ' HD23 ' A' ' 58' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.565 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD22 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.42 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.85 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 86' ' ' ALA . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 69' ' ' TRP . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.85 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.618 ' HG3' HD21 ' A' ' 52' ' ' LEU . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 105' ' ' PHE . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 82' ' ' PRO . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.867 HG23 HG13 ' A' ' 83' ' ' VAL . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' GLN . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 96' ' ' LEU . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.594 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -106.6 58.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -94.02 157.14 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.25 158.92 25.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 93.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.6 m -55.81 103.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -55.76 -59.85 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -85.64 123.04 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -71.37 -52.65 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -74.49 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -139.82 124.36 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -81.81 -50.7 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.34 67.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.4 t -144.33 173.72 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.692 0.282 . . . . 0.0 111.204 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' OG1' ' A' ' 8' ' ' THR . 1.5 mp0 -57.74 -19.05 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 8' ' ' THR . 8.2 tp10 -55.74 -38.69 70.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.05 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 10' ' ' GLU . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.675 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.521 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.474 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 20' ' ' THR . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 35' ' ' TRP . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD13 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 41' ' ' LEU . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.662 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD11 ' HG3' ' A' ' 77' ' ' GLU . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.581 ' N ' HD22 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.936 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 61' ' ' LEU . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CE2' HG21 ' A' ' 73' ' ' VAL . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD23 ' OH ' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD23 ' OE1' ' A' ' 49' ' ' GLN . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 104' ' ' HIS . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 82' ' ' PRO . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.822 HG23 HG13 ' A' ' 83' ' ' VAL . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 64' ' ' LEU . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.543 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.562 ' OH ' HD23 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' HB3' HG23 ' A' ' 80' ' ' ILE . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 28.4 t60 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD1' HD22 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -113.78 166.85 11.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -174.39 152.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.32 164.25 8.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -87.2 -57.79 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -161.85 153.03 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -102.68 94.59 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -48.36 125.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.47 55.08 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -151.35 134.95 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -150.94 160.83 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.32 80.48 0.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' GLU . 14.4 m -138.67 143.97 39.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.767 0.318 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -36.65 -33.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.8 tp10 -42.35 -58.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -44.3 -36.01 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.544 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB ' ' A' ' 20' ' ' THR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.674 ' HB2' HD21 ' A' ' 98' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.614 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 90' ' ' VAL . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.882 ' CE2' HG21 ' A' ' 73' ' ' VAL . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.882 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.736 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD23 ' OE1' ' A' ' 49' ' ' GLN . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 105' ' ' PHE . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD22 ' A' ' 98' ' ' LEU . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.696 HG21 HD12 ' A' ' 64' ' ' LEU . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.559 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 35' ' ' TRP . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB2' HG12 ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 80' ' ' ILE . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 77.2 t60 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.467 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.752 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt -112.22 67.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -103.18 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 169.7 8.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.721 2.28 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -116.37 43.36 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -118.02 89.09 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -153.54 132.59 12.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -62.36 -58.61 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.11 -104.88 0.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m 47.61 42.8 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.08 170.73 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.95 50.17 3.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.05 166.48 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' HG2' ' CG2' ' A' ' 99' ' ' ILE . 21.9 mp0 -101.31 25.01 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -66.92 -45.49 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 103' ' ' SER . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 43' ' ' ALA . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' NE1' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD23 ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' LEU . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.872 HE22 ' HA3' ' A' ' 51' ' ' GLY . 4.0 tm0? -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.872 ' HA3' HE22 ' A' ' 49' ' ' GLN . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 77' ' ' GLU . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.754 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 58' ' ' LEU . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 82' ' ' PRO . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 52' ' ' LEU . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.844 HG23 HG13 ' A' ' 83' ' ' VAL . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 84' ' ' VAL . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 9' ' ' GLN . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.502 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.767 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.426 ' HB3' HD12 ' A' ' 80' ' ' ILE . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.485 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 68.1 t60 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.904 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.465 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 10.3 ptmm? -114.08 135.12 54.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.8 t -120.25 85.09 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.799 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.43 -157.82 29.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -178.73 2.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.8 t -122.97 -49.65 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 m -54.38 -55.24 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -64.96 -55.77 17.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -46.4 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.61 164.63 11.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -83.69 44.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 m -45.57 -41.35 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.52 58.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.96 157.6 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.708 0.289 . . . . 0.0 111.156 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -82.67 -32.37 28.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -43.26 -55.34 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -57.46 -37.82 73.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 102' ' ' LEU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 28' ' ' VAL . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 43' ' ' ALA . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 20' ' ' THR . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.745 ' HB2' HD21 ' A' ' 98' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 41' ' ' LEU . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' HB3' HD12 ' A' ' 52' ' ' LEU . 46.1 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD21 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.869 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 82' ' ' PRO . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.719 ' CD ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 45' ' ' VAL . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 36' ' ' ALA . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HB2' HD21 ' A' ' 12' ' ' LEU . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' CE2' HG21 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.605 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 8.9 t60 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CG ' HD22 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.605 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 9.6 mttp -68.79 -41.72 78.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.9 p -78.22 110.98 13.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.98 -170.69 27.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.555 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -14.78 36.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -78.07 -56.14 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -44.87 123.66 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -67.28 135.71 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.36 107.27 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.04 82.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -117.98 141.25 48.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -145.63 165.71 27.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.8 -152.79 21.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 10' ' ' GLU . 14.8 t -48.66 161.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -87.11 22.57 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.623 ' H ' HG23 ' A' ' 8' ' ' THR . 22.5 tt0 -66.86 -51.89 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.64 -45.64 88.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 102' ' ' LEU . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 31' ' ' LEU . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 HG21 ' A' ' 28' ' ' VAL . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 HG21 ' A' ' 20' ' ' THR . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 99' ' ' ILE . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.571 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' LEU . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.698 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' N ' HD22 ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 61' ' ' LEU . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 86' ' ' ALA . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 49' ' ' GLN . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 84' ' ' VAL . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 83' ' ' VAL . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.572 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 31' ' ' LEU . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 83' ' ' VAL . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.698 ' HB2' HD21 ' A' ' 12' ' ' LEU . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.413 ' CG ' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.51 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 6.4 t60 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 13.6 mtmm -68.81 168.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t 38.59 37.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.81 -160.31 25.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.3 t -112.97 101.85 9.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.3 p -76.29 128.23 34.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.566 -0.213 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -73.6 171.93 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.43 175.93 6.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 172.88 38.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -65.24 132.75 49.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -99.2 129.65 45.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 53.0 3.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -149.01 142.43 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.716 0.294 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -88.95 42.37 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -86.09 -56.01 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.71 -31.78 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 102' ' ' LEU . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 31' ' ' LEU . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 28' ' ' VAL . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 39' ' ' LEU . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 HG21 ' A' ' 20' ' ' THR . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 30' ' ' ASP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' SG ' HD23 ' A' ' 58' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 11.9 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.811 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 71' ' ' LEU . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 67' ' ' THR . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.689 ' CG ' HD21 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.787 HG23 HG13 ' A' ' 83' ' ' VAL . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' HD11 ' A' ' 64' ' ' LEU . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' ALA . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.586 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG21 ' A' ' 84' ' ' VAL . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' HD21 ' A' ' 12' ' ' LEU . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 39.0 t60 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.495 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 9.2 pttp -109.21 140.27 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.6 t 60.24 38.99 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.34 178.52 9.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -6.15 17.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.278 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.4 t -117.34 104.73 11.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.4 p -87.62 140.52 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.502 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -133.92 85.32 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -81.2 -50.1 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.47 64.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -139.5 134.76 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -150.25 177.47 9.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.92 -88.9 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 10' ' ' GLU . 14.5 t -42.49 158.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -84.33 23.28 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' H ' HG23 ' A' ' 8' ' ' THR . 3.4 tp10 -69.2 -45.31 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -69.06 -7.95 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.609 ' CD1' ' CE1' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.776 HG21 ' HB2' ' A' ' 43' ' ' ALA . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.496 HG13 ' NE1' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.806 HD23 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.806 ' NE1' HD23 ' A' ' 31' ' ' LEU . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.003 HD22 ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.783 ' HB3' HD12 ' A' ' 52' ' ' LEU . 9.1 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 HG21 ' A' ' 90' ' ' VAL . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.804 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.804 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' HD21 ' A' ' 52' ' ' LEU . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.4 tp-100 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 36' ' ' ALA . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.571 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' ' 84' ' ' VAL . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.645 ' HB2' HG12 ' A' ' 83' ' ' VAL . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.609 ' CE1' ' CD1' ' A' ' 15' ' ' TRP . 1.7 t60 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 1.003 ' CD2' HD22 ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HD3' ' CE1' ' A' ' 106' ' ' HIS . 19.2 mmtt -56.46 -35.53 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 m 50.59 51.93 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.12 171.6 20.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.274 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -70.89 124.35 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -98.25 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -130.98 124.32 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -166.89 170.14 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.93 -104.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -91.46 120.47 32.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -83.16 -49.63 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.85 75.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 9' ' ' GLN . 2.0 t -163.47 176.94 9.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.17 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 8' ' ' THR . 24.0 mp0 -61.15 -13.5 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.55 -34.41 75.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -79.12 -33.42 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 102' ' ' LEU . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.548 HG13 ' NE1' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.515 ' OE1' HD23 ' A' ' 78' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' N ' HD22 ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 82' ' ' PRO . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ALA . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG23 HG12 ' A' ' 84' ' ' VAL . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG21 HD12 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' N ' HG21 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.594 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.708 ' HB2' HD21 ' A' ' 12' ' ' LEU . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HE2' HG22 ' A' ' 45' ' ' VAL . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.53 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 9.4 t60 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . 13.9 pttp -115.39 -17.42 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -113.08 140.35 47.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.77 -158.15 7.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 124.14 10.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p -138.8 164.81 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.8 t -150.34 151.05 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -132.55 100.28 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.755 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -101.96 149.15 24.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 106.57 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -92.48 90.28 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.375 . . . . 0.0 110.782 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -95.77 77.86 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.5 52.48 1.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 10' ' ' GLU . 72.4 m -127.2 136.4 51.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.218 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.02 -34.02 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 8' ' ' THR . 29.1 tt0 -47.03 -47.03 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.47 -33.22 75.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 102' ' ' LEU . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' HD22 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 23' ' ' TYR . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' NE1' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB3' HD12 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.754 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.633 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.81 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD23 ' OH ' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.81 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.685 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG13 HG23 ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG23 HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HA ' HD11 ' A' ' 64' ' ' LEU . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG23 HG12 ' A' ' 84' ' ' VAL . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 35' ' ' TRP . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.708 ' OH ' HD23 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 31' ' ' LEU . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.498 ' O ' ' N ' ' A' ' 108' ' ' ALA . 7.1 t60 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 11.1 pttp -113.73 165.54 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.1 m 45.25 40.77 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.96 -158.59 34.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -4.73 14.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.5 t -76.3 81.86 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.6 p -121.78 120.68 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -63.43 149.62 45.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -79.55 131.13 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.75 -39.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -82.43 97.87 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.72 -130.45 1.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -98.77 142.87 29.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 111.079 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -45.59 -24.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 17.8 pt-20 -45.3 -48.2 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -48.52 -36.96 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 31' ' ' LEU . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.413 ' CG ' ' ND1' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.534 ' HB ' HG11 ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' LEU . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 13' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.6 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.856 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.6 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.665 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' N ' HD22 ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.825 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.825 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.605 HG21 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG23 HG13 ' A' ' 83' ' ' VAL . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ALA . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 84' ' ' VAL . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 36' ' ' ALA . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.607 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 95' ' ' PRO . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 35' ' ' TRP . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.565 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.959 ' HB2' HD21 ' A' ' 12' ' ' LEU . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 109' ' ' PHE . 17.2 t60 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.704 ' CD2' HD22 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.421 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 10.1 pttp -112.66 21.74 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.3 m -47.57 124.58 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.04 171.88 12.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 -177.67 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 t -93.85 135.07 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 p -136.58 132.46 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 p -45.06 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.796 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -105.95 -53.73 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.03 -44.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -100.49 135.72 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -99.66 147.45 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.18 -122.4 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -52.39 175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.144 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -56.28 -19.66 15.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -48.46 -46.88 38.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -45.35 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 HD12 ' A' ' 31' ' ' LEU . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 39' ' ' LEU . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 102' ' ' LEU . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 90' ' ' VAL . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 71' ' ' LEU . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.873 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 82' ' ' PRO . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.873 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.625 ' HG3' HD21 ' A' ' 52' ' ' LEU . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 105' ' ' PHE . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.855 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.855 HG23 HG13 ' A' ' 83' ' ' VAL . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' OD1' ' A' ' 94' ' ' ASP . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.531 HG23 HG12 ' A' ' 84' ' ' VAL . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.666 HG21 HD12 ' A' ' 64' ' ' LEU . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD1' ' HB1' ' A' ' 88' ' ' ALA . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 96' ' ' LEU . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.522 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.552 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.629 ' HB2' HG12 ' A' ' 83' ' ' VAL . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.699 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 80' ' ' ILE . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 110' ' ' LYS . 20.9 t60 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CG ' HD22 ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 106' ' ' HIS . 24.2 pttm -113.04 135.16 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t 66.59 42.24 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.91 170.36 43.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.23 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -43.7 159.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 t -98.9 145.83 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -113.88 157.61 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -93.71 -45.68 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -177.45 21.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -139.27 170.29 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -85.35 158.8 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.08 -90.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -62.13 160.34 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.765 0.316 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.35 23.44 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.49 -60.8 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -55.62 -18.08 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.553 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' LEU . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 58' ' ' LEU . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.906 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 52' ' ' LEU . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.547 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.803 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.803 HG23 HG13 ' A' ' 83' ' ' VAL . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.693 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 84' ' ' VAL . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.79 HG21 HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.566 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.617 ' CE1' ' HG2' ' A' ' 110' ' ' LYS . 13.9 t60 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.617 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 13.3 mttp -67.72 117.38 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -138.48 126.27 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.42 164.85 14.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 82.8 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 m -152.7 -177.69 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 t -170.52 134.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.363 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 40' ' ' ALA . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.422 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.68 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.691 HD22 ' CD2' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' HD22 ' A' ' 61' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.715 HD23 ' OH ' ' A' ' 101' ' ' TYR . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.713 ' HG3' HD11 ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 104' ' ' HIS . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG13 HG23 ' A' ' 84' ' ' VAL . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.802 HG23 HG13 ' A' ' 83' ' ' VAL . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 84' ' ' VAL . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 64' ' ' LEU . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.562 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.484 ' N ' HG21 ' A' ' 84' ' ' VAL . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.715 ' OH ' HD23 ' A' ' 71' ' ' LEU . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 80' ' ' ILE . 15.1 m170 -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 43' ' ' ALA . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG13 ' NE1' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' HD23 ' A' ' 58' ' ' LEU . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 105' ' ' PHE . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 41' ' ' LEU . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 HE22 ' CG ' ' A' ' 77' ' ' GLU . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.605 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.855 ' CE2' HG21 ' A' ' 73' ' ' VAL . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.53 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.855 HG21 ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' HD11 ' A' ' 52' ' ' LEU . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.736 HG21 ' CE1' ' A' ' 105' ' ' PHE . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 HG12 ' A' ' 84' ' ' VAL . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 64' ' ' LEU . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.558 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB2' HG12 ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' A' ' 80' ' ' ILE . 12.9 m170 -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.594 ' CG ' HD22 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 21.6 mttp . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 102' ' ' LEU . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.835 HG21 ' HB2' ' A' ' 43' ' ' ALA . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' HD23 ' A' ' 58' ' ' LEU . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.793 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' A' ' 61' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD12 HG21 ' A' ' 90' ' ' VAL . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 HD12 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.61 HD12 HG22 ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' A' ' 104' ' ' HIS . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HG23 ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.857 HG23 HG13 ' A' ' 83' ' ' VAL . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 64' ' ' LEU . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG21 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' A' ' 12' ' ' LEU . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.511 ' HB3' HD12 ' A' ' 80' ' ' ILE . 15.4 m170 -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.79 ' CD2' HD22 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 8.2 pttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.912 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 31' ' ' LEU . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.685 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CD1' HG23 ' A' ' 26' ' ' VAL . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.888 HG21 ' HB2' ' A' ' 43' ' ' ALA . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 68.2 t60 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 13' ' ' LEU . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.543 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.608 ' N ' HD22 ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.822 ' CE2' HG21 ' A' ' 73' ' ' VAL . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.591 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.82 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ALA . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 64' ' ' LEU . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.551 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.537 ' N ' HG21 ' A' ' 84' ' ' VAL . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.607 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' PHE . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.9 t-160 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.866 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 5.0 mtmp? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.981 0.419 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 31' ' ' LEU . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG11 ' A' ' 26' ' ' VAL . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 43' ' ' ALA . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.406 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' ARG . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 3.3 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 65' ' ' GLU . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 90' ' ' VAL . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.862 ' HB3' HD22 ' A' ' 61' ' ' LEU . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.887 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.523 HD23 ' OH ' ' A' ' 101' ' ' TYR . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 52' ' ' LEU . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.745 HG23 HG13 ' A' ' 83' ' ' VAL . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 84' ' ' VAL . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 36' ' ' ALA . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.552 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' HG21 ' A' ' 84' ' ' VAL . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.523 ' OH ' HD23 ' A' ' 71' ' ' LEU . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 8.7 m170 -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 80' ' ' ILE . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t-160 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CG ' HD22 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 20.1 mtmt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.449 ' HB ' HG11 ' A' ' 26' ' ' VAL . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 43' ' ' ALA . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.517 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.517 ' NE1' HG13 ' A' ' 28' ' ' VAL . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 4.2 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.661 HD21 ' CD ' ' A' ' 77' ' ' GLU . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.578 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.887 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 HG21 ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.661 ' CD ' HD21 ' A' ' 52' ' ' LEU . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' HIS . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.436 HG23 ' HD2' ' A' ' 82' ' ' PRO . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.848 HG13 HG23 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.848 HG23 HG13 ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.433 HG23 HG12 ' A' ' 84' ' ' VAL . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.833 HG21 HD12 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.497 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.518 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 80' ' ' ILE . 33.0 m-70 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.893 0.377 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 HD12 ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 39' ' ' LEU . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.76 ' HB3' HG22 ' A' ' 26' ' ' VAL . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 41' ' ' LEU . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.678 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 71' ' ' LEU . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.836 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 67' ' ' THR . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.836 HG21 ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 52' ' ' LEU . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD23 ' OE1' ' A' ' 49' ' ' GLN . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.658 HG21 ' CE1' ' A' ' 105' ' ' PHE . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.56 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 84' ' ' VAL . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 83' ' ' VAL . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 64' ' ' LEU . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.683 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.556 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.546 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.5 m170 -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.658 ' CE1' HG21 ' A' ' 80' ' ' ILE . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.547 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.0 t-80 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 15.5 ptmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.866 0.365 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 43' ' ' ALA . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' A' ' 35' ' ' TRP . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' A' ' 28' ' ' VAL . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.561 ' SG ' HD23 ' A' ' 58' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.565 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD22 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.42 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.85 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 86' ' ' ALA . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.85 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 62.2 m-20 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.618 ' HG3' HD21 ' A' ' 52' ' ' LEU . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 105' ' ' PHE . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 82' ' ' PRO . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.867 HG23 HG13 ' A' ' 83' ' ' VAL . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' GLN . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 96' ' ' LEU . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.54 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.594 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 18.7 t-80 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.4 pttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.89 0.376 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.675 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.521 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.474 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 20' ' ' THR . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 35' ' ' TRP . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD13 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.457 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 41' ' ' LEU . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.662 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.629 HD11 ' HG3' ' A' ' 77' ' ' GLU . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.581 ' N ' HD22 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.936 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 61' ' ' LEU . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CE2' HG21 ' A' ' 73' ' ' VAL . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD23 ' OH ' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.662 HD23 ' OE1' ' A' ' 49' ' ' GLN . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 104' ' ' HIS . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 82' ' ' PRO . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.822 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.822 HG23 HG13 ' A' ' 83' ' ' VAL . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 64' ' ' LEU . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.543 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.562 ' OH ' HD23 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.549 ' HB3' HG23 ' A' ' 80' ' ' ILE . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 10.1 t-160 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD1' HD22 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.874 0.368 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.544 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB ' ' A' ' 20' ' ' THR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.674 ' HB2' HD21 ' A' ' 98' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.614 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 90' ' ' VAL . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.882 ' CE2' HG21 ' A' ' 73' ' ' VAL . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.882 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.459 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 35.4 m-80 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.736 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.614 HD23 ' OE1' ' A' ' 49' ' ' GLN . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 105' ' ' PHE . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD22 ' A' ' 98' ' ' LEU . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.696 HG21 HD12 ' A' ' 64' ' ' LEU . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.559 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 35' ' ' TRP . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB2' HG12 ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 14.9 m170 -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 80' ' ' ILE . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 25.2 t-80 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.467 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.752 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.933 0.397 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 103' ' ' SER . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 43' ' ' ALA . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' NE1' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD23 ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' LEU . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.557 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 77' ' ' GLU . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.754 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 58' ' ' LEU . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 82' ' ' PRO . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 52' ' ' LEU . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.844 HG23 HG13 ' A' ' 83' ' ' VAL . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 84' ' ' VAL . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.536 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.502 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.767 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.426 ' HB3' HD12 ' A' ' 80' ' ' ILE . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.8 t-80 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.904 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.3 ptmm? . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 102' ' ' LEU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 28' ' ' VAL . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 43' ' ' ALA . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 20' ' ' THR . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.745 ' HB2' HD21 ' A' ' 98' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.7 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 41' ' ' LEU . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.615 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.3 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD21 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.869 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 82' ' ' PRO . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.719 ' CD ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 45' ' ' VAL . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 36' ' ' ALA . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.524 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HB2' HD21 ' A' ' 12' ' ' LEU . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.419 ' CE2' HG21 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 12.8 t-160 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CG ' HD22 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 9.6 mttp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 102' ' ' LEU . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 31' ' ' LEU . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 HG21 ' A' ' 28' ' ' VAL . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 HG21 ' A' ' 20' ' ' THR . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 99' ' ' ILE . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.571 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' LEU . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.698 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.573 ' N ' HD22 ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 61' ' ' LEU . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 86' ' ' ALA . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 49' ' ' GLN . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 84' ' ' VAL . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 83' ' ' VAL . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.572 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 31' ' ' LEU . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 83' ' ' VAL . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.698 ' HB2' HD21 ' A' ' 12' ' ' LEU . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 104' ' ' HIS . 6.9 m170 -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.413 ' CG ' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.5 t-160 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 13.6 mtmm . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 102' ' ' LEU . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 31' ' ' LEU . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 28' ' ' VAL . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 39' ' ' LEU . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 HG21 ' A' ' 20' ' ' THR . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.518 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 30' ' ' ASP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.516 ' SG ' HD23 ' A' ' 58' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 5.0 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.811 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 71' ' ' LEU . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 67' ' ' THR . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 50.1 m-20 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.689 ' CG ' HD21 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.787 HG23 HG13 ' A' ' 83' ' ' VAL . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' HD11 ' A' ' 64' ' ' LEU . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' ALA . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.586 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG21 ' A' ' 84' ' ' VAL . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' HD21 ' A' ' 12' ' ' LEU . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.402 ' N ' ' CD2' ' A' ' 104' ' ' HIS . 9.6 m170 -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 12.6 t-80 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 9.2 pttp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.809 0.338 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.776 HG21 ' HB2' ' A' ' 43' ' ' ALA . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.496 HG13 ' NE1' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.806 HD23 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.806 ' NE1' HD23 ' A' ' 31' ' ' LEU . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.003 HD22 ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.783 ' HB3' HD12 ' A' ' 52' ' ' LEU . 7.4 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.514 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 HG21 ' A' ' 90' ' ' VAL . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.804 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.804 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' HD21 ' A' ' 52' ' ' LEU . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' HD11 ' A' ' 64' ' ' LEU . 12.1 tp60 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 36' ' ' ALA . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.571 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' ' 84' ' ' VAL . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.645 ' HB2' HG12 ' A' ' 83' ' ' VAL . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.419 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 20.1 t-160 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 1.003 ' CD2' HD22 ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' HIS . 19.2 mmtt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.902 0.382 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 102' ' ' LEU . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.548 HG13 ' NE1' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.515 ' OE1' HD23 ' A' ' 78' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.617 ' N ' HD22 ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 82' ' ' PRO . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ALA . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.412 HG23 HG12 ' A' ' 84' ' ' VAL . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG21 HD12 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' N ' HG21 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.594 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.708 ' HB2' HD21 ' A' ' 12' ' ' LEU . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 7.5 m170 -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HE2' HG22 ' A' ' 45' ' ' VAL . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.1 t-160 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 13.9 pttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 102' ' ' LEU . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' HD22 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 23' ' ' TYR . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' NE1' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB3' HD12 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.754 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.633 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.81 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD23 ' OH ' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.81 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.685 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.761 HG13 HG23 ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.761 HG23 HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HA ' HD11 ' A' ' 64' ' ' LEU . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG23 HG12 ' A' ' 84' ' ' VAL . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 35' ' ' TRP . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.708 ' OH ' HD23 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 31' ' ' LEU . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.3 t-160 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 11.1 pttp . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 31' ' ' LEU . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.613 ' CG ' ' CD2' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.534 ' HB ' HG11 ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' LEU . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 13' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.6 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.856 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.6 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.665 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.543 ' N ' HD22 ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.825 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.825 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.406 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 67.9 m-20 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.605 HG21 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.752 HG23 HG13 ' A' ' 83' ' ' VAL . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ALA . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 84' ' ' VAL . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 36' ' ' ALA . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.607 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 95' ' ' PRO . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 35' ' ' TRP . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.565 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.959 ' HB2' HD21 ' A' ' 12' ' ' LEU . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.2 m170 -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CD2' ' CG ' ' A' ' 15' ' ' TRP . 9.2 t-160 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.704 ' CD2' HD22 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.1 pttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 HD12 ' A' ' 31' ' ' LEU . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 39' ' ' LEU . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.0 p-80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.461 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 102' ' ' LEU . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 90' ' ' VAL . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 71' ' ' LEU . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.873 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 82' ' ' PRO . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.873 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.625 ' HG3' HD21 ' A' ' 52' ' ' LEU . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 105' ' ' PHE . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.855 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.855 HG23 HG13 ' A' ' 83' ' ' VAL . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' OD1' ' A' ' 94' ' ' ASP . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.531 HG23 HG12 ' A' ' 84' ' ' VAL . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.666 HG21 HD12 ' A' ' 64' ' ' LEU . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD1' ' HB1' ' A' ' 88' ' ' ALA . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 96' ' ' LEU . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.522 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.552 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.629 ' HB2' HG12 ' A' ' 83' ' ' VAL . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.699 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.0 m170 -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 80' ' ' ILE . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' ALA . 10.6 t-160 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CG ' HD22 ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 24.2 pttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.486 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.553 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' LEU . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 58' ' ' LEU . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.79 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TRP . . . . . 0.906 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 52' ' ' LEU . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.547 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.803 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.803 HG23 HG13 ' A' ' 83' ' ' VAL . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.693 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 84' ' ' VAL . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.79 HG21 HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.566 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 13.3 mttp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 p -114.02 98.27 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -166.93 150.47 6.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.94 -105.17 0.18 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.424 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 6' ' ' SER . 43.7 p -104.82 -14.82 15.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.826 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 5' ' ' SER . 71.1 m 34.75 49.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.58 -52.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 10' ' ' GLU . 8.8 t -79.61 171.33 15.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.762 0.315 . . . . 0.0 111.073 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -56.03 -20.74 18.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.62 ' HB3' HG23 ' A' ' 8' ' ' THR . 2.2 tp10 -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -61.15 -40.27 93.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -75.24 -54.92 6.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -45.85 -67.37 0.29 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.1 mtp180 -45.37 -50.07 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.39 -44.92 76.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -67.58 -34.97 78.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -57.67 -51.81 67.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -57.81 -35.86 71.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -70.03 -63.81 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ALA . 70.3 p -56.6 -35.86 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -34.69 -57.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -44.1 -49.82 7.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -61.79 123.24 76.44 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.657 0.741 . . . . 0.0 110.942 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 124.6 11.21 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -27.29 21.18 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.443 ' CG1' ' HA ' ' A' ' 40' ' ' ALA . 21.8 t -85.15 113.53 23.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.9 0.381 . . . . 0.0 111.189 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -131.57 98.17 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.39 104.61 7.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.444 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 86.0 p -110.47 -20.17 12.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 29' ' ' SER . 4.4 m-20 -162.31 135.35 5.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 mp -79.03 54.75 1.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.8 t -129.13 -59.28 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.3 p -123.33 -20.51 5.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.61 -25.68 60.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.422 ' HB2' HD21 ' A' ' 98' ' ' LEU . 54.9 m95 -100.91 -11.01 20.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.56 99.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.153 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 -42.08 -57.59 2.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.43 -44.72 1.18 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.9 mt -53.7 -47.8 70.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.34 . . . . 0.0 110.952 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.66 -68.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.06 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.2 mt -51.53 -38.63 55.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.68 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 24.4 m -61.48 -47.09 87.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.9 71.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.165 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.2 tp -52.18 -41.88 63.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 93.4 t -72.04 -59.71 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.792 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 23.0 m-85 -48.3 -47.08 36.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.4 mmp_? -62.62 -61.54 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.691 HD22 ' CD2' ' A' ' 109' ' ' PHE . 16.4 mt -34.09 -39.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.948 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 20.3 mt-30 -132.24 96.84 18.85 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.549 0.69 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.81 -5.24 15.77 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.676 2.251 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.7 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.713 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.7 mt -67.31 154.71 40.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.69 168.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -107.94 155.31 40.2 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.655 0.741 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.472 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.81 81.18 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 t -77.95 -36.3 49.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' GLN . 44.2 mt-10 -98.26 -45.79 6.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.686 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.7 mp -42.37 -25.35 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 57' ' ' GLU . 44.2 mt-30 -50.67 -48.55 58.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -122.32 50.82 0.82 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.45 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.686 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.6 mt -107.81 170.44 7.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 63' ' ' ALA . . . -75.59 147.92 36.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 62' ' ' GLY . . . -36.33 -39.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.1 tp -81.62 -51.29 8.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.498 ' CG ' HD22 ' A' ' 61' ' ' LEU . 19.0 mm-40 -37.49 -44.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.68 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.36 -70.54 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.044 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.434 ' C ' ' O ' ' A' ' 66' ' ' ALA . 31.2 m -35.41 -40.94 0.17 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.197 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.95 -56.98 7.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.838 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.3 t90 -55.43 -59.68 4.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.55 -59.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.715 HD23 ' OH ' ' A' ' 101' ' ' TYR . 20.4 mt -54.19 -29.85 47.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' TRP . 42.7 tttm -73.89 -70.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.838 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 44.8 t -52.1 -23.64 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -80.87 -35.04 33.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.105 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -84.38 -16.15 43.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -96.53 -63.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.713 ' HG3' HD11 ' A' ' 52' ' ' LEU . 16.8 mm-40 -73.71 -70.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.04 -34.14 67.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.01 11.17 84.07 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.473 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.487 HD12 ' HB3' ' A' ' 104' ' ' HIS . 23.7 mm -78.19 88.47 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.882 0.372 . . . . 0.0 111.126 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.607 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.9 m -42.79 137.41 2.47 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.55 0.69 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.607 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.79 93.54 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.268 . . . . 0.0 112.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG13 HG23 ' A' ' 84' ' ' VAL . 2.3 p -71.6 -26.45 26.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.802 HG23 HG13 ' A' ' 83' ' ' VAL . 66.6 t -119.83 144.96 26.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 88' ' ' ALA . 92.0 p -75.56 123.9 26.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.93 -35.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 85' ' ' SER . 5.5 tm0? -68.77 -49.9 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.76 -43.15 72.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.101 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 84' ' ' VAL . 97.6 t -59.93 -59.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.424 HG21 HD12 ' A' ' 64' ' ' LEU . 89.4 t -66.66 -61.14 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -40.92 -44.18 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.54 50.93 3.42 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -108.4 -40.54 5.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.846 0.355 . . . . 0.0 110.947 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -115.51 87.82 18.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -20.55 34.79 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.633 2.222 . . . . 0.0 112.297 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.39 -53.15 9.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.562 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.51 -51.97 9.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.518 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.484 ' N ' HG21 ' A' ' 84' ' ' VAL . 32.9 tp -48.58 -54.88 12.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.3 mt -48.22 -51.71 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.79 88.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.715 ' OH ' HD23 ' A' ' 71' ' ' LEU . 27.3 t80 -59.86 -50.75 72.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.7 mt -64.45 -43.87 92.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.956 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.8 t -41.89 -37.44 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.487 ' HB3' HD12 ' A' ' 80' ' ' ILE . 15.1 m170 -62.04 -47.43 84.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.797 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -51.38 -55.12 20.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.423 ' O ' ' N ' ' A' ' 108' ' ' ALA . 20.3 t-80 -62.62 -57.03 12.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.2 m -40.8 -27.15 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.39 -37.53 9.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.691 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.1 m-85 -108.75 45.39 1.04 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -111.61 166.63 10.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.9 t -168.09 147.85 4.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 127.35 -157.51 20.83 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 136.04 32.01 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.317 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -79.15 -58.71 3.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.789 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.8 m -112.29 92.37 4.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 t -43.86 99.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -107.97 89.45 3.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.82 146.4 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -151.67 141.56 22.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 m -143.33 118.77 10.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.39 58.75 10.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.472 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 10' ' ' GLU . 84.9 m -132.72 128.11 36.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.134 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -60.51 -36.88 79.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 8' ' ' THR . 22.8 tt0 -43.48 -45.89 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -56.76 -35.64 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.6 tp -76.33 -45.47 32.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.1 tp -56.99 -64.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -43.11 -48.77 6.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.41 ' CD1' ' CD2' ' A' ' 106' ' ' HIS . 88.1 t90 -54.53 -41.68 69.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 84.2 m -68.35 -37.63 80.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 94.5 mt-30 -63.03 -32.49 73.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.941 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -74.82 -41.16 60.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.4 mm-40 -72.27 -52.97 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.5 p -60.93 -29.37 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -41.53 150.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.013 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.99 -48.63 2.23 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.406 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.4 t80 -56.9 127.01 74.2 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.612 0.72 . . . . 0.0 110.951 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.2 Cg_endo -69.79 123.08 9.74 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 -39.64 2.68 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.46 HG21 ' HB2' ' A' ' 43' ' ' ALA . 64.5 t -72.7 109.44 4.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.936 0.398 . . . . 0.0 111.133 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -129.67 60.7 1.58 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.8 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG13 ' NE1' ' A' ' 35' ' ' TRP . 62.8 t -47.53 114.87 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.181 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 79.0 p -117.88 -24.64 7.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' CG ' ' O ' ' A' ' 29' ' ' SER . 45.0 m-20 -164.93 145.09 7.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 31' ' ' LEU . 8.5 mp -78.39 53.34 1.26 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.5 t -119.91 -66.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -122.97 -26.8 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.27 -23.71 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 52.1 m95 -101.5 -19.31 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.124 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -52.36 -56.03 17.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.91 -51.96 0.84 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.1 mt -46.84 -45.89 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -37.5 -63.44 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.089 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.0 mt -56.79 -35.54 68.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.644 ' SG ' HD23 ' A' ' 58' ' ' LEU . 31.4 m -60.39 -49.27 78.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -57.25 -49.01 77.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.495 HD21 ' CD2' ' A' ' 105' ' ' PHE . 19.2 tp -56.03 -47.74 77.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 41' ' ' LEU . 76.4 t -65.98 -64.49 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 30.4 m-85 -43.63 -47.55 7.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 48' ' ' LEU . 8.0 tpt180 -60.3 -61.84 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.594 HD22 ' CG ' ' A' ' 109' ' ' PHE . 18.9 mt -37.96 -35.68 0.16 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 HE22 ' CG ' ' A' ' 77' ' ' GLU . 15.0 mt-30 -134.43 98.65 13.64 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -15.71 37.2 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.697 2.265 . . . . 0.0 112.334 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -70.24 -44.87 58.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.713 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.2 mt -52.92 160.53 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -53.98 179.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.872 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.605 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.0 mp0 -112.42 158.18 37.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.77 6.63 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.67 2.246 . . . . 0.0 112.373 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 74.4 m -31.14 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.81 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 32.1 mt-10 -85.83 -44.14 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.81 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -51.63 -24.87 6.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -54.9 -46.36 74.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -101.83 33.02 6.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.455 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.81 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -108.71 172.43 6.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 110.937 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.8 151.22 27.41 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -39.27 -42.43 1.01 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.858 0.361 . . . . 0.0 111.074 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 90' ' ' VAL . 8.1 tp -77.36 -53.42 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.591 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.0 mm-40 -39.41 -36.21 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.79 -66.74 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 48.6 m -38.58 -40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.154 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.8 -52.68 38.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.855 ' CE2' HG21 ' A' ' 73' ' ' VAL . 80.7 t90 -57.91 -61.72 2.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.88 -56.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.53 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 12.1 mt -57.08 -33.17 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' TRP . 41.3 tttp -72.35 -64.65 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.855 HG21 ' CE2' ' A' ' 69' ' ' TRP . 46.1 t -56.21 -23.25 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.131 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.53 -29.48 30.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.004 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -88.48 -21.26 24.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -91.86 -62.1 1.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.559 ' HG3' HD11 ' A' ' 52' ' ' LEU . 25.2 mm-40 -76.11 -72.27 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.93 -32.67 64.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 82.4 0.13 89.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.473 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.736 HG21 ' CE1' ' A' ' 105' ' ' PHE . 26.3 mm -67.14 87.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.614 HG23 ' HD2' ' A' ' 82' ' ' PRO . 88.0 m -44.15 138.32 3.48 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.637 0.732 . . . . 0.0 111.166 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.614 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.6 Cg_endo -69.65 93.9 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.748 2.299 . . . . 0.0 112.39 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -70.13 -24.89 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.174 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 54.8 t -121.11 155.73 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.447 ' N ' HG12 ' A' ' 84' ' ' VAL . 10.5 m -82.28 130.57 35.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.63 -45.08 1.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.101 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.441 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.0 tt0 -64.42 -46.92 81.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.94 75.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.422 HG23 HG12 ' A' ' 84' ' ' VAL . 94.9 t -55.7 -53.26 39.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.162 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 64' ' ' LEU . 59.6 t -76.2 -64.76 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.52 -35.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.31 46.35 6.99 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.461 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.5 t -102.28 -43.83 5.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.839 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.35 87.22 6.02 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.607 0.717 . . . . 0.0 110.811 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.517 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.81 -27.48 26.17 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.655 2.237 . . . . 0.0 112.309 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.517 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -74.7 -46.24 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.558 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.72 -50.33 31.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' HG21 ' A' ' 84' ' ' VAL . 44.8 tp -48.91 -53.21 20.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.4 mt -50.39 -55.32 6.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.52 -33.39 68.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.592 ' HB2' HG12 ' A' ' 83' ' ' VAL . 24.1 t80 -66.04 -53.28 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.5 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 73.6 mt -56.62 -42.37 78.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.7 p -50.7 -41.66 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.404 ' HB3' HG23 ' A' ' 80' ' ' ILE . 12.9 m170 -54.46 -38.69 66.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.834 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 80' ' ' ILE . 17.7 m-85 -64.89 -66.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -49.95 -61.44 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 106' ' ' HIS . 23.2 m -36.26 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.82 -45.88 8.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.594 ' CG ' HD22 ' A' ' 48' ' ' LEU . 73.3 m-85 -99.8 35.18 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 21.6 mttp -59.25 118.24 5.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 84.6 p -172.39 160.71 4.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.04 177.89 40.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -21.12 34.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.74 2.294 . . . . 0.0 112.376 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.1 p -101.85 110.6 22.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.0 p -99.15 163.45 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.461 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 m 59.21 43.0 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.853 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -139.49 118.81 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.0 89.95 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.489 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.7 m -102.16 138.04 39.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.884 0.374 . . . . 0.0 110.823 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -90.67 140.2 30.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.843 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.57 83.64 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.0 t -167.31 154.23 8.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.754 0.312 . . . . 0.0 111.148 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.02 22.87 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.12 -57.88 7.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -48.55 -44.58 36.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 102' ' ' LEU . 61.3 tp -61.6 -51.83 66.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.2 tp -57.7 -61.99 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -53.32 -52.4 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 81.8 t90 -54.8 -41.06 70.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 71.5 m -68.32 -41.57 80.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -51.51 -52.44 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.56 -49.26 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -66.59 -22.72 66.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 38.9 p -111.16 24.98 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.55 -39.72 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.23 49.02 2.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.518 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -146.97 130.59 8.27 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.733 0.778 . . . . 0.0 110.973 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.72 117.9 5.36 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.38 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.52 -47.58 1.09 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.835 HG21 ' HB2' ' A' ' 43' ' ' ALA . 90.3 t -58.51 108.39 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.363 . . . . 0.0 111.105 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -120.68 71.07 0.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.88 103.8 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.3 p -107.71 -23.72 11.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -157.2 -175.89 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.2 mt -112.34 36.19 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -105.42 -70.98 0.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.4 p -115.89 -21.81 9.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -49.4 -26.03 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.404 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 54.4 m95 -104.75 -10.54 17.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.85 33.08 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -121.35 -42.96 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.73 -71.04 0.51 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -40.94 -47.26 2.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.92 -62.98 0.29 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -59.54 -40.18 86.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.587 ' SG ' HD23 ' A' ' 58' ' ' LEU . 22.4 m -55.7 -54.88 38.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.835 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -52.11 -50.22 62.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.65 -49.77 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.4 t -59.63 -64.63 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.791 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 52.5 m-85 -46.25 -53.88 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -51.31 -63.58 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.79 HD22 ' CD2' ' A' ' 109' ' ' PHE . 25.0 mt -39.12 -38.45 0.48 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.525 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.4 tt0 -131.79 96.29 20.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.8 Cg_endo -69.74 -12.03 32.08 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.647 2.231 . . . . 0.0 112.355 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.51 -40.53 47.15 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.793 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -57.84 155.23 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.788 0.327 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -48.47 178.3 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' N ' HD22 ' A' ' 53' ' ' LEU . 36.5 mt-10 -107.16 157.91 34.29 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.645 0.736 . . . . 0.0 110.874 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.8 5.02 1.87 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 55' ' ' PRO . 37.1 t -35.27 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -80.67 -54.75 5.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.612 ' HA ' HD12 ' A' ' 61' ' ' LEU . 5.2 mp -47.27 -41.61 19.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 58' ' ' LEU . 9.4 pt20 -36.72 -43.6 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.929 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 59' ' ' GLN . . . -113.1 45.57 1.3 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.9 mt -114.29 -72.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.343 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.77 -174.82 36.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.3 -51.5 36.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 111.104 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD12 HG21 ' A' ' 90' ' ' VAL . 8.8 tp -77.25 -51.41 10.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.44 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 43.3 mm-40 -40.94 -36.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.75 -58.4 5.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.61 HG22 HD12 ' A' ' 71' ' ' LEU . 17.3 m -46.03 -38.02 7.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.16 -56.63 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.076 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.883 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.1 t90 -56.51 -57.36 12.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.21 -59.86 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.61 HD12 HG22 ' A' ' 67' ' ' THR . 9.7 mt -56.78 -20.83 24.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.948 0.404 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.5 tmtt? -84.64 -68.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.883 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.4 t -52.81 -22.81 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.074 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -82.12 -26.03 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -94.85 -19.69 20.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -91.42 -57.34 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 20.9 mm-40 -80.48 -71.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.62 -38.58 69.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.99 -3.76 73.92 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.462 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.511 HD12 ' HB3' ' A' ' 104' ' ' HIS . 49.3 mm -66.55 102.0 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 111.149 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.676 HG23 ' HD2' ' A' ' 82' ' ' PRO . 91.2 m -59.36 138.99 88.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.676 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.74 87.14 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.857 HG13 HG23 ' A' ' 84' ' ' VAL . 1.6 p -62.39 -25.77 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.857 HG23 HG13 ' A' ' 83' ' ' VAL . 77.8 t -125.42 132.27 71.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -56.77 147.85 22.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.914 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HA ' HD11 ' A' ' 71' ' ' LEU . . . -54.98 -35.12 63.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -72.62 -43.89 62.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.432 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -56.16 -45.17 79.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 88.7 t -56.52 -64.34 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.533 HG21 HD12 ' A' ' 64' ' ' LEU . 86.0 t -63.63 -59.96 3.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 87' ' ' GLN . . . -38.82 -46.36 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.49 40.79 6.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.6 t -99.5 -41.91 7.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.888 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.01 87.26 6.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -36.05 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.717 2.278 . . . . 0.0 112.38 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -62.39 -49.48 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.532 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.42 -54.92 18.42 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.515 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' N ' HG21 ' A' ' 84' ' ' VAL . 31.9 tp -44.74 -58.29 3.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.901 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 81.6 mt -47.86 -47.47 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -66.11 -30.11 70.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.518 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.5 t80 -66.84 -54.82 18.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' HB2' HD21 ' A' ' 12' ' ' LEU . 50.2 mt -54.71 -43.55 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.8 m -46.45 -39.74 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.511 ' HB3' HD12 ' A' ' 80' ' ' ILE . 15.4 m170 -59.13 -41.66 88.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -63.43 -46.67 85.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 108' ' ' ALA . 13.5 t-80 -69.94 -63.21 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 106' ' ' HIS . 61.0 m -36.57 -32.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.825 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -90.78 -42.78 10.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.79 ' CD2' HD22 ' A' ' 48' ' ' LEU . 46.8 m-85 -106.17 47.73 0.87 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 8.2 pttp -108.22 169.35 8.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 14.1 t -148.83 147.2 28.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 123.6 -166.79 15.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.88 128.42 15.89 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.2 p -70.89 133.83 46.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.851 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.1 m -131.02 176.82 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.529 -179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -90.0 89.29 7.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.0 m -43.67 106.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.11 125.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.5 m -84.14 123.33 29.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.889 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -77.26 -48.54 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.843 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.03 94.93 0.1 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 10' ' ' GLU . 8.4 t -159.53 155.13 25.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.737 0.303 . . . . 0.0 111.149 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 mp0 -47.32 -22.33 0.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' HG23 ' A' ' 8' ' ' THR . 12.5 tt0 -46.22 -46.91 17.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.04 -45.7 71.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.4 tp -64.12 -53.33 51.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 31' ' ' LEU . 22.7 tp -52.15 -63.95 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.938 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.5 mtp85 -45.33 -43.88 11.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 88.9 t90 -61.41 -38.83 88.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 77.1 m -69.99 -39.68 75.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.679 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 99.1 mt-30 -59.48 -45.06 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -60.37 -39.66 88.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -69.99 -63.69 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.685 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -60.87 -19.86 60.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.08 -21.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -97.24 57.18 1.21 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.602 ' CD1' HG23 ' A' ' 26' ' ' VAL . 4.5 t80 -156.99 135.34 7.5 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.727 0.775 . . . . 0.0 110.925 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.55 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.87 114.65 3.79 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 112.401 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.79 -50.07 0.9 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.534 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.888 HG21 ' HB2' ' A' ' 43' ' ' ALA . 57.4 t -52.7 108.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 111.165 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 68.2 t60 -124.45 70.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.5 99.01 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -105.29 -10.92 16.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -166.26 -177.71 4.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 13' ' ' LEU . 6.5 mt -113.56 31.42 6.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 m -109.5 -72.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ALA . 2.4 t -113.0 -26.28 8.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -42.77 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 33' ' ' SER . 31.5 m95 -105.11 -25.92 12.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.955 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.03 -48.59 3.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -39.35 -43.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.19 -39.24 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.483 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.1 mt -54.61 -47.54 73.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.873 0.368 . . . . 0.0 110.973 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.23 -65.59 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.4 mt -53.59 -34.96 60.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.969 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.565 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 16.1 m -65.26 -54.87 22.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.888 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.98 -43.28 69.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.046 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.64 -45.81 90.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 90.9 t -67.73 -62.82 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.728 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 32.6 m-85 -44.04 -59.02 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' O ' ' C ' ' A' ' 48' ' ' LEU . 1.1 tpm_? -51.75 -61.09 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.866 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.0 mt -33.79 -58.55 0.43 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.543 HE22 ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -116.31 101.92 53.69 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.595 0.712 . . . . 0.0 110.947 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -3.82 12.8 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.725 2.283 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -79.85 -33.95 32.18 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.7 mt -66.55 156.46 34.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.777 0.322 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.608 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.35 -177.17 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 179.853 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.608 ' N ' HD22 ' A' ' 53' ' ' LEU . 19.5 mt-10 -115.47 161.09 31.86 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.622 0.725 . . . . 0.0 110.899 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' A' ' 57' ' ' GLU . 52.4 Cg_endo -69.87 4.91 1.97 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.681 2.254 . . . . 0.0 112.31 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.471 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.1 t -32.86 -35.35 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' PRO . 39.8 mt-10 -89.13 -41.96 11.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.6 mp -53.56 -31.24 45.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -44.93 -55.22 5.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -106.95 55.31 0.53 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.502 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.8 mt -116.38 -71.26 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.95 158.92 9.6 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.16 67.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.775 0.321 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD12 HG21 ' A' ' 90' ' ' VAL . 10.0 tp -84.39 -48.79 9.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 15.9 mm-40 -43.86 -37.21 2.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.824 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.565 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.09 -71.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 66' ' ' ALA . 29.6 m -36.75 -37.08 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.66 -54.43 37.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.073 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.822 ' CE2' HG21 ' A' ' 73' ' ' VAL . 74.6 t90 -60.39 -60.44 3.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.57 -55.73 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.089 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 26.6 mt -58.86 -30.38 67.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' TRP . 3.5 ttmp? -73.79 -70.15 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.0 t -49.75 -28.74 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.103 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.497 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -74.76 -39.72 61.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.7 tm-20 -80.41 -15.17 57.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -97.34 -64.03 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.509 ' HG3' HD11 ' A' ' 52' ' ' LEU . 12.1 mm-40 -73.02 -64.9 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.94 -24.85 66.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 70.95 13.01 72.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.591 HG21 ' CE1' ' A' ' 105' ' ' PHE . 37.5 mm -74.23 91.18 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.919 0.39 . . . . 0.0 111.118 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 44.6 m -42.59 130.52 2.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.517 0.675 . . . . 0.0 111.21 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' CE1' ' A' ' 101' ' ' TYR . 54.2 Cg_endo -69.71 98.23 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.349 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.82 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -74.87 -28.78 21.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.16 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.82 HG23 HG13 ' A' ' 83' ' ' VAL . 73.3 t -116.63 152.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 86' ' ' ALA . 76.9 p -86.35 127.57 34.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.71 -41.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.493 ' HA ' HD11 ' A' ' 64' ' ' LEU . 29.5 tt0 -62.16 -49.84 74.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.4 -45.98 76.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.29 -55.41 8.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.718 HG21 HD12 ' A' ' 64' ' ' LEU . 54.5 t -65.53 -51.91 57.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.59 -10.74 2.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.39 17.3 1.13 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.8 m -71.32 -30.99 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -117.05 87.22 22.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.457 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.8 Cg_endo -69.78 -38.69 7.39 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.7 2.266 . . . . 0.0 112.326 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.457 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.6 mp -61.32 -47.38 86.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.551 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.91 -60.04 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.479 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.537 ' N ' HG21 ' A' ' 84' ' ' VAL . 60.0 tp -49.21 -57.41 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.706 0.289 . . . . 0.0 110.843 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.9 mt -44.5 -45.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.05 -44.87 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.607 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 15.9 t80 -52.0 -55.6 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 105' ' ' PHE . 72.1 mt -52.35 -50.04 63.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 6.1 t -37.55 -43.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.807 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -55.9 -44.57 78.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HG21 ' A' ' 80' ' ' ILE . 37.3 m-85 -58.61 -65.02 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.513 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.9 t-160 -51.01 -59.0 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.816 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 106' ' ' HIS . 5.6 t -34.49 -39.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.9 -48.18 8.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.866 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.9 m-85 -93.35 41.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 5.0 mtmp? -71.71 131.31 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.0 t -160.06 174.19 14.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.48 -153.63 17.31 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.89 -10.61 28.88 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.642 2.228 . . . . 0.0 112.289 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.2 t -85.0 136.71 33.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -120.17 154.48 34.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t 70.36 41.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.931 0.396 . . . . 0.0 110.856 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.4 p -121.51 161.68 21.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.04 110.19 0.51 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 p -81.07 90.34 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.932 0.396 . . . . 0.0 110.933 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.6 m -54.69 -42.77 71.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.809 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.5 97.11 1.26 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 HG23 ' CB ' ' A' ' 10' ' ' GLU . 6.5 t -146.97 155.14 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.701 0.286 . . . . 0.0 111.18 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -47.47 -23.01 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' CB ' HG23 ' A' ' 8' ' ' THR . 20.1 tt0 -44.41 -53.14 7.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -67.1 -40.04 86.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 54.0 tp -55.47 -41.78 73.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.546 HD13 ' CD1' ' A' ' 31' ' ' LEU . 7.0 tp -69.4 -46.74 66.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -56.79 -46.5 81.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.5 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 78.4 t90 -58.06 -51.17 70.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.9 m -57.69 -36.31 71.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 49.3 mt-30 -61.35 -37.39 83.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.16 -35.92 78.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -77.99 -59.25 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.454 ' HB ' HG11 ' A' ' 26' ' ' VAL . 41.5 p -57.44 -20.65 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -50.87 154.14 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.3 -57.66 3.14 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.515 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -44.45 128.51 4.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.695 0.759 . . . . 0.0 110.895 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.517 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.4 Cg_endo -69.81 118.3 5.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' O ' ' ND1' ' A' ' 27' ' ' HIS . . . 104.79 -41.92 2.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.444 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.674 HG21 ' HB2' ' A' ' 43' ' ' ALA . 87.0 t -67.5 109.07 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' ND1' ' O ' ' A' ' 25' ' ' GLY . 0.8 OUTLIER -127.75 68.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.795 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -53.44 99.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 11.0 t -100.91 -32.36 10.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 29' ' ' SER . 1.9 m-20 -162.9 145.58 10.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.546 ' CD1' HD13 ' A' ' 13' ' ' LEU . 8.4 mp -76.83 54.01 0.96 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -127.49 -65.82 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.7 m -122.88 -14.36 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.04 -22.12 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.406 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 40.5 m95 -105.82 -17.85 14.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.574 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -50.21 -34.62 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.082 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.419 ' C ' ' OD1' ' A' ' 37' ' ' ASP . 12.2 t0 -56.72 -58.45 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 131.85 -39.78 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' HB3' HG22 ' A' ' 26' ' ' VAL . 12.4 mt -52.47 -46.37 66.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.5 -63.4 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.6 mt -56.79 -35.69 69.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' LEU . 15.7 m -62.68 -45.49 92.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.82 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.674 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -62.71 -47.79 82.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 tp -57.31 -41.6 80.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 41' ' ' LEU . 92.8 t -70.77 -59.22 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 28.9 m-85 -48.06 -51.47 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 48' ' ' LEU . 2.3 mmp_? -57.11 -64.39 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 47' ' ' ARG . 42.9 mt -35.86 -41.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.8 tt0 -129.31 100.41 20.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.585 0.707 . . . . 0.0 110.926 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -22.84 31.37 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.721 2.281 . . . . 0.0 112.332 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.32 -46.43 94.43 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.427 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.5 mt -53.49 155.64 2.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.92 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.41 -179.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.2 mm-40 -113.9 161.4 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.672 0.748 . . . . 0.0 110.846 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.84 4.7 2.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.682 2.255 . . . . 0.0 112.309 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' C ' ' O ' ' A' ' 55' ' ' PRO . 67.7 m -33.75 -33.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.846 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 23.7 mp0 -89.06 -47.6 7.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.784 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.1 mp -45.63 -35.78 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 3.3 pt20 -39.82 -47.61 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.482 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -81.43 -38.78 13.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.862 HD22 ' HB3' ' A' ' 65' ' ' GLU . 47.9 mt -44.54 159.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.888 0.375 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.41 178.38 53.93 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.548 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.14 -45.34 75.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 0.0 111.072 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.573 HD12 HG21 ' A' ' 90' ' ' VAL . 7.5 tp -74.37 -53.49 9.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.862 ' HB3' HD22 ' A' ' 61' ' ' LEU . 69.0 mm-40 -40.8 -34.08 0.36 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.0 -68.25 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.5 m -38.39 -39.3 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.03 -53.39 33.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.887 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.0 t90 -55.62 -62.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.79 -59.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.523 HD23 ' OH ' ' A' ' 101' ' ' TYR . 13.6 mt -54.28 -32.09 55.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 69' ' ' TRP . 31.4 tttp -74.53 -69.54 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.927 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG21 ' CE2' ' A' ' 69' ' ' TRP . 44.1 t -49.84 -24.76 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.09 -29.25 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.403 ' CD ' ' O ' ' A' ' 75' ' ' GLU . 11.3 tm-20 -92.12 -13.91 29.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.856 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.4 m-80 -98.92 -53.23 3.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HG3' HD21 ' A' ' 52' ' ' LEU . 36.8 mm-40 -86.51 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.21 -33.36 72.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 86.35 -4.11 86.4 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.496 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 105' ' ' PHE . 14.8 mm -65.52 92.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 0.0 111.184 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.653 HG23 ' HD2' ' A' ' 82' ' ' PRO . 97.7 m -50.65 138.79 22.23 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 111.128 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.1 Cg_endo -69.76 94.25 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.634 2.223 . . . . 0.0 112.415 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -69.46 -29.35 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.745 HG23 HG13 ' A' ' 83' ' ' VAL . 49.8 t -117.62 150.86 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.2 m -77.57 129.21 35.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.922 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -38.35 -47.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.11 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -61.23 -46.41 90.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.81 75.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.462 HG23 HG12 ' A' ' 84' ' ' VAL . 96.1 t -59.43 -47.13 91.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 36' ' ' ALA . 64.1 t -76.11 -67.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.76 -39.25 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.121 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.67 50.13 4.09 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.1 t -102.65 -43.34 5.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.381 . . . . 0.0 110.95 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -115.62 89.53 23.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.595 0.712 . . . . 0.0 110.811 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.552 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.66 -41.25 4.57 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.322 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.552 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.3 mp -58.17 -43.35 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.555 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -53.5 -51.17 49.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.407 ' N ' HG21 ' A' ' 84' ' ' VAL . 24.9 tp -49.75 -51.51 38.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.9 mt -51.86 -53.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -59.47 -35.15 73.53 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.069 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.523 ' OH ' HD23 ' A' ' 71' ' ' LEU . 12.9 t80 -61.81 -56.89 14.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.936 -179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 89.1 mt -54.19 -40.34 67.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.4 t -45.66 -35.44 4.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.817 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 8.7 m170 -63.81 -47.31 81.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 80' ' ' ILE . 27.1 m-85 -59.63 -48.59 81.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.575 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.8 t-160 -69.31 -63.6 1.04 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 106' ' ' HIS . 83.6 p -36.25 -36.39 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.06 -47.37 8.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.409 ' CG ' HD22 ' A' ' 48' ' ' LEU . 71.1 m-85 -96.64 40.02 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.575 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 20.1 mtmt -70.7 122.21 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 74.1 p -152.35 -179.53 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 116.82 -171.81 13.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -27.57 26.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.66 2.24 . . . . 0.0 112.318 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.4 m 62.51 42.25 8.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 82.3 p -127.09 150.2 49.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -147.23 163.04 37.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -136.09 119.17 16.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.84 111.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -80.8 149.45 29.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.1 p -115.12 1.73 13.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.97 67.3 1.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.509 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' GLN . 18.8 m -146.41 144.87 30.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.705 0.288 . . . . 0.0 111.112 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 12' ' ' LEU . 71.5 mt-30 -37.06 -39.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . 3.7 tm-20 -35.11 -59.14 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 6.4 pt-20 -66.28 -34.52 78.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 11' ' ' GLU . 19.1 tp -58.76 -57.08 14.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.6 -49.25 68.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -57.62 -48.42 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.57 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 83.1 t90 -57.74 -46.59 84.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.2 m -60.73 -39.03 87.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -58.72 -61.0 2.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -47.5 -45.64 26.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -66.62 -43.11 85.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.449 ' HB ' HG11 ' A' ' 26' ' ' VAL . 77.6 p -93.61 26.18 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.16 133.43 34.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 23' ' ' TYR . . . 107.88 -57.98 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.563 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.547 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.1 t80 -36.43 127.69 0.7 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.729 0.776 . . . . 0.0 110.896 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.7 Cg_endo -69.81 122.44 9.1 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.678 2.252 . . . . 0.0 112.33 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.07 -34.51 5.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.504 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 43' ' ' ALA . 80.0 t -70.41 108.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.876 0.369 . . . . 0.0 111.079 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t-160 -126.73 77.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.517 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.1 t -71.75 79.9 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.8 t -83.98 -16.47 43.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -172.46 150.8 2.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 mp -83.61 34.66 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.6 t -115.35 -72.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.3 m -122.0 45.37 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.5 m -124.76 -24.3 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.517 ' NE1' HG13 ' A' ' 28' ' ' VAL . 32.3 m95 -96.0 -8.82 32.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -55.74 -49.85 71.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.065 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -38.49 -42.21 0.73 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.787 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.72 -44.43 1.5 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.42 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.46 -41.14 60.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.793 0.33 . . . . 0.0 110.926 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -39.48 -62.69 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' ' 45' ' ' VAL . 9.8 mt -55.29 -35.91 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.9 m -63.74 -60.74 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -46.14 -32.01 2.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.9 tp -77.21 -43.65 32.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.3 t -67.51 -57.85 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 38.2 m-85 -50.07 -57.2 8.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 48' ' ' LEU . 21.0 tpp180 -51.46 -58.23 6.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.492 HD22 ' CG ' ' A' ' 109' ' ' PHE . 20.3 mt -35.65 -37.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 4.2 mt-30 -145.54 111.1 4.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.75 -27.0 27.07 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.04 -46.45 55.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.661 HD21 ' CD ' ' A' ' 77' ' ' GLU . 8.1 mt -57.96 152.08 17.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.73 -179.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.578 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.4 mt-10 -113.82 161.62 26.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.61 0.719 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 57' ' ' GLU . 53.6 Cg_endo -69.79 4.93 1.92 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.575 2.183 . . . . 0.0 112.382 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 92.5 p -32.52 -35.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mt-10 -86.14 -44.2 12.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.887 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.0 mp -49.8 -38.33 34.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 20.9 pt20 -35.82 -51.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -80.71 -42.89 9.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.523 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.887 HD12 ' HA ' ' A' ' 58' ' ' LEU . 71.7 mt -38.21 154.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.931 0.395 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.85 179.0 38.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.62 -38.96 79.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.309 . . . . 0.0 111.048 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD12 HG21 ' A' ' 90' ' ' VAL . 9.1 tp -79.97 -50.77 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.666 ' HB3' HD22 ' A' ' 61' ' ' LEU . 62.7 mm-40 -41.97 -31.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.09 -66.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 53.0 m -41.75 -37.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.154 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.68 -47.9 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.147 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.852 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -60.3 -58.82 6.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -41.97 -54.69 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.401 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 10.1 mt -58.76 -27.07 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' TRP . 53.0 tttm -79.25 -69.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.897 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.852 HG21 ' CE2' ' A' ' 69' ' ' TRP . 41.5 t -49.98 -25.84 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -81.65 -42.55 19.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.0 tm-20 -78.95 -16.76 56.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -92.64 -59.26 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.661 ' CD ' HD21 ' A' ' 52' ' ' LEU . 6.2 mt-10 -82.65 -69.08 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -58.01 -22.43 49.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.56 20.28 69.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.47 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.423 HD12 ' HB3' ' A' ' 104' ' ' HIS . 36.5 mm -82.56 85.13 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.436 HG23 ' HD2' ' A' ' 82' ' ' PRO . 54.9 m -37.41 134.32 0.75 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.658 0.742 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.436 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.81 92.27 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.848 HG13 HG23 ' A' ' 84' ' ' VAL . 1.4 p -67.84 -22.68 28.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.848 HG23 HG13 ' A' ' 83' ' ' VAL . 73.5 t -129.64 135.18 62.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.138 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.62 147.43 51.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -53.53 -38.02 63.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -52.17 51.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.936 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.08 -48.63 53.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.056 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.433 HG23 HG12 ' A' ' 84' ' ' VAL . 84.7 t -54.53 -56.69 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.833 HG21 HD12 ' A' ' 64' ' ' LEU . 93.5 t -68.12 -65.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -36.75 -40.38 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.71 40.97 8.51 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.1 t -96.87 -44.45 7.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.923 0.392 . . . . 0.0 110.879 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -107.18 86.93 2.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.602 0.715 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.497 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.3 Cg_endo -69.71 -29.38 24.19 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.39 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.0 mp -72.16 -45.93 58.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.518 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.32 -52.95 21.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 48.7 tp -52.39 -60.1 3.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.303 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 84.0 mt -40.7 -40.49 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.069 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' O ' ' N ' ' A' ' 103' ' ' SER . . . -73.5 -54.49 8.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.536 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.1 t80 -41.4 -44.91 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.06 -36.06 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.945 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 100' ' ' ALA . 32.0 t -50.92 -41.07 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.423 ' HB3' HD12 ' A' ' 80' ' ' ILE . 33.0 m-70 -59.02 -40.85 86.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -63.33 -51.82 64.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 19.9 t-160 -68.76 -63.6 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 106' ' ' HIS . 4.6 m -34.77 -35.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.83 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.13 -45.62 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.492 ' CG ' HD22 ' A' ' 48' ' ' LEU . 58.4 m-85 -93.88 40.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -61.25 -49.05 78.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.3 t -73.76 101.35 3.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.64 -157.59 21.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.556 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -4.89 14.94 Favored 'Trans proline' 0 N--CA 1.465 -0.18 0 C-N-CA 122.725 2.283 . . . . 0.0 112.383 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -64.86 109.53 2.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 14.8 t -50.6 159.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -55.55 -54.63 41.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -117.68 90.68 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.07 -86.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 54.5 47.16 23.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -126.0 115.2 19.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.74 -50.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.434 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.4 m -85.09 144.56 28.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.731 0.3 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.7 pm0 -87.18 25.03 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -66.62 -62.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -51.53 -42.62 61.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 59.3 tp -55.28 -51.24 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.599 HD13 HD12 ' A' ' 31' ' ' LEU . 27.6 tp -53.63 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtp-105 -47.66 -49.93 26.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.453 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 77.2 t90 -53.98 -45.08 71.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.1 m -62.44 -38.62 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -56.06 -53.62 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -56.56 -47.32 79.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 mm-40 -65.31 -27.18 68.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 57.8 p -110.48 28.44 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.181 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.55 -31.73 13.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.08 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.31 40.7 3.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.556 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -139.75 128.4 13.43 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.671 0.748 . . . . 0.0 110.886 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.556 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.4 Cg_endo -69.63 130.2 19.09 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.638 2.225 . . . . 0.0 112.421 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.16 -45.09 2.64 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' HB3' ' A' ' 39' ' ' LEU . 54.5 t -62.62 108.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.805 0.336 . . . . 0.0 111.19 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.448 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 53.4 p-80 -126.11 84.59 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG11 ' CZ2' ' A' ' 35' ' ' TRP . 41.8 t -80.89 101.43 5.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.102 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.4 t -100.23 -20.1 16.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -164.11 175.98 9.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.599 HD12 HD13 ' A' ' 13' ' ' LEU . 8.5 mp -106.01 56.56 0.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.4 t -129.17 -70.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.807 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -119.27 -22.04 7.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.6 m -50.97 -29.07 11.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.473 ' CZ2' HG11 ' A' ' 28' ' ' VAL . 63.2 m95 -92.78 -15.86 26.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.629 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -51.32 -52.5 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.135 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 36' ' ' ALA . 11.9 m-20 -35.33 -44.43 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 112.85 -38.27 3.3 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.473 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.76 ' HB3' HG22 ' A' ' 26' ' ' VAL . 10.1 mt -56.39 -38.85 72.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -41.85 -61.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt -59.92 -35.54 75.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.939 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.0 m -59.5 -55.89 28.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.537 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -53.97 -55.9 22.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 tp -48.97 -42.91 39.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 41' ' ' LEU . 67.7 t -67.82 -59.74 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.1 m-85 -47.02 -53.53 12.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -55.15 -60.23 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.66 HD22 ' CD2' ' A' ' 109' ' ' PHE . 15.2 mt -36.93 -38.62 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.678 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.6 mt-30 -132.28 97.57 17.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.629 0.728 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 54.1 Cg_endo -69.76 -4.2 13.56 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.666 2.244 . . . . 0.0 112.306 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.43 -37.09 11.19 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.445 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.68 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.1 mt -60.97 155.99 18.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.891 0.377 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.09 177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.594 ' N ' HD22 ' A' ' 53' ' ' LEU . 4.7 mm-40 -111.77 159.42 33.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.2 Cg_endo -69.81 7.08 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.656 2.237 . . . . 0.0 112.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 55' ' ' PRO . 46.8 m -30.35 -39.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.9 mm-40 -83.88 -46.02 12.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 10.2 mp -49.84 -25.88 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.01 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -62.65 80.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.33 -27.88 3.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.528 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 12.2 mt -50.44 171.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.16 145.79 36.81 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.503 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -41.15 -32.74 0.29 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.864 0.364 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -83.79 -55.01 4.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -39.62 -33.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.17 -67.69 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.146 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.56 HG22 HD12 ' A' ' 71' ' ' LEU . 36.2 m -41.96 -36.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.72 -53.87 34.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.836 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.4 t90 -58.69 -60.45 3.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.27 -53.22 2.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.56 HD12 HG22 ' A' ' 67' ' ' THR . 10.3 mt -60.98 -28.94 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.2 ttmm -76.16 -70.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.836 HG21 ' CE2' ' A' ' 69' ' ' TRP . 43.2 t -48.71 -29.92 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -78.92 -32.13 45.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.086 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.2 tm-20 -85.57 -12.42 51.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -102.9 -59.72 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HG3' HD11 ' A' ' 52' ' ' LEU . 28.0 mm-40 -77.42 -67.66 0.7 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.678 HD23 ' OE1' ' A' ' 49' ' ' GLN . 26.2 mt -59.7 -36.84 77.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 82.37 14.82 75.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.658 HG21 ' CE1' ' A' ' 105' ' ' PHE . 24.6 mm -81.08 83.0 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.989 0.423 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.0 m -37.78 133.7 0.84 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.52 0.676 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.56 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.7 Cg_endo -69.78 97.1 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.663 2.242 . . . . 0.0 112.388 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.771 HG13 HG23 ' A' ' 84' ' ' VAL . 3.0 p -70.01 -32.03 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.771 HG23 HG13 ' A' ' 83' ' ' VAL . 55.9 t -113.82 149.91 16.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 49.3 m -78.01 130.34 36.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -37.45 -46.21 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.058 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.48 ' HA ' HD11 ' A' ' 64' ' ' LEU . 2.7 tp-100 -60.67 -54.26 47.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.6 -43.11 35.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.2 t -58.65 -61.81 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG21 HD12 ' A' ' 64' ' ' LEU . 60.0 t -63.55 -61.01 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.37 -44.42 0.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.4 38.4 7.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.9 t -100.25 -42.19 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -108.79 87.04 4.12 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.683 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.76 -44.59 1.98 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.334 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.683 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.4 mp -59.37 -45.17 92.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.556 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.72 -53.43 13.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.514 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.443 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.3 tp -52.36 -56.21 16.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.831 0.348 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.1 mt -45.77 -48.35 4.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.42 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -65.59 -33.95 77.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.546 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.8 t80 -64.53 -55.16 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 80.2 mt -56.93 -42.81 80.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.0 m -42.15 -39.71 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.5 m170 -61.01 -39.64 90.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.658 ' CE1' HG21 ' A' ' 80' ' ' ILE . 25.9 m-85 -62.76 -51.14 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.547 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.0 t-80 -67.49 -57.9 5.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.833 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.424 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 75.7 m -41.8 -25.57 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -99.79 -40.33 7.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.66 ' CD2' HD22 ' A' ' 48' ' ' LEU . 57.0 m-85 -103.82 42.04 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.547 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 15.5 ptmt -112.53 -42.58 3.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 110' ' ' LYS . 87.9 p 37.38 41.91 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.44 -158.13 3.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' O ' ' C ' ' A' ' 114' ' ' SER . 53.7 Cg_endo -69.77 -15.56 37.1 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.616 2.211 . . . . 0.0 112.366 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 113' ' ' PRO . 15.7 t -36.7 -57.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.868 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 66.0 m -49.96 100.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.451 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -106.72 -47.38 3.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.827 0.346 . . . . 0.0 110.808 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -90.69 127.77 36.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.51 -168.06 43.78 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.8 p -122.95 -46.98 2.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -125.35 137.35 54.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.53 108.46 1.83 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.482 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.942 HG23 ' H ' ' A' ' 10' ' ' GLU . 8.0 t -149.15 177.82 9.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.686 0.279 . . . . 0.0 111.195 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.92 -21.5 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.942 ' H ' HG23 ' A' ' 8' ' ' THR . 4.8 tp10 -48.99 -52.99 21.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -58.12 -35.52 71.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 HD21 ' HB2' ' A' ' 102' ' ' LEU . 40.9 tp -68.44 -59.14 3.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.3 tp -47.16 -68.55 0.18 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.2 mtm105 -42.2 -54.72 3.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -52.71 -46.66 67.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 63.1 m -59.88 -36.66 77.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.67 -29.62 70.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.934 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -80.88 -37.21 30.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -72.01 -46.18 58.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 33.4 p -69.93 -31.91 69.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.24 148.24 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 98.43 -39.3 2.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.524 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.506 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.6 t80 -66.49 127.97 93.61 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.664 0.745 . . . . 0.0 110.908 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 101.81 0.96 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.71 2.273 . . . . 0.0 112.32 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 118.78 -42.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.668 HG21 ' HB2' ' A' ' 43' ' ' ALA . 21.2 t -64.09 110.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 0.0 111.119 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -131.86 76.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.48 HG13 ' HE1' ' A' ' 35' ' ' TRP . 86.2 t -56.68 101.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.089 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 54.1 p -107.52 -28.95 9.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' SER . 35.9 m-20 -162.41 139.23 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mp -76.07 52.17 0.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.4 t -130.07 -58.55 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -123.06 -25.67 4.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.58 -24.5 5.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.48 ' HE1' HG13 ' A' ' 28' ' ' VAL . 38.3 m95 -105.42 -13.16 15.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.98 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -56.62 -31.8 64.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.051 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.51 -45.13 92.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 118.43 -47.51 1.02 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' HB3' HG22 ' A' ' 26' ' ' VAL . 14.8 mt -44.91 -45.37 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -35.86 -61.87 0.45 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.626 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.2 mt -57.42 -35.88 70.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.561 ' SG ' HD23 ' A' ' 58' ' ' LEU . 11.6 m -63.92 -44.11 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.668 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -63.81 -53.55 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.7 HD21 ' CD2' ' A' ' 105' ' ' PHE . 7.2 tp -51.86 -42.74 62.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.7 t -69.34 -58.46 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.087 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.794 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 15.8 m-85 -51.91 -59.42 4.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -52.02 -59.96 3.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.85 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.768 HD22 ' CD2' ' A' ' 109' ' ' PHE . 14.7 mt -36.38 -53.11 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.565 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.0 mt-30 -117.05 103.07 52.44 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.592 0.71 . . . . 0.0 110.962 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.5 Cg_endo -69.68 -20.9 34.6 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.701 2.267 . . . . 0.0 112.35 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.25 -47.09 92.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.7 mt -56.13 154.28 8.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.653 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.42 177.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.653 ' N ' HD22 ' A' ' 53' ' ' LEU . 88.7 mt-10 -115.27 154.15 47.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.647 0.737 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.83 98.84 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.621 2.214 . . . . 0.0 112.398 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -107.05 -16.72 14.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -113.39 -35.11 5.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.8 mp -52.61 -33.99 48.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 2.1 pt20 -51.19 -38.94 55.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.441 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -98.23 -39.36 3.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.517 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 58' ' ' LEU . 87.9 mt -39.69 160.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.905 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.44 175.63 29.09 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.514 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.03 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.8 tp -77.03 -50.98 11.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 5.6 mm-40 -40.96 -32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.42 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.8 -70.85 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.427 HG22 ' CD1' ' A' ' 71' ' ' LEU . 54.6 m -38.45 -35.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.39 -53.42 45.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.85 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.9 t90 -60.36 -59.68 5.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.64 -57.85 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.637 HD12 ' HB2' ' A' ' 86' ' ' ALA . 41.1 mt -53.87 -25.26 18.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 19.1 tttm -82.89 -68.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.85 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 39.4 t -50.29 -21.56 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.492 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -84.26 -38.79 20.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.106 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -78.57 -18.42 54.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.931 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.464 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 62.2 m-20 -94.54 -64.36 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.618 ' HG3' HD21 ' A' ' 52' ' ' LEU . 1.8 mm-40 -75.31 -69.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.8 mt -58.91 -22.71 60.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.908 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.76 13.91 62.04 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.474 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.593 HG21 ' CE1' ' A' ' 105' ' ' PHE . 9.5 mm -78.61 89.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.968 0.413 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 82' ' ' PRO . 92.3 m -42.64 133.78 2.82 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.588 0.709 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.449 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.6 Cg_endo -69.72 102.68 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.631 2.22 . . . . 0.0 112.37 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -77.25 -31.57 18.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.867 HG23 HG13 ' A' ' 83' ' ' VAL . 89.4 t -116.94 148.77 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 87' ' ' GLN . 72.6 m -80.54 129.6 34.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -37.67 -30.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' SER . 31.7 tp60 -70.64 -53.09 17.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -55.11 -43.83 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 91.3 t -50.7 -54.52 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.7 t -69.77 -53.03 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.085 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.41 -14.98 0.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.54 17.5 3.11 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.506 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 m -74.21 -23.89 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.824 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -125.18 85.42 58.18 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.615 0.721 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -28.35 25.42 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.548 ' H ' HD12 ' A' ' 96' ' ' LEU . 5.0 mp -64.18 -53.38 50.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.54 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.67 -60.16 6.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.594 ' N ' HG21 ' A' ' 84' ' ' VAL . 61.0 tp -45.59 -58.11 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.02 -47.25 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.172 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.37 -39.19 85.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.564 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.7 t80 -56.72 -52.26 65.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.007 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.406 ' HB2' HD21 ' A' ' 12' ' ' LEU . 69.6 mt -60.19 -44.4 95.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.95 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.8 m -45.92 -25.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -73.93 -43.36 58.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.7 ' CD2' HD21 ' A' ' 44' ' ' LEU . 18.9 m-85 -61.86 -48.89 78.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.84 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.422 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 18.7 t-80 -64.62 -56.9 10.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.8 t -48.98 -26.14 2.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -96.31 -28.87 14.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.113 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.768 ' CD2' HD22 ' A' ' 48' ' ' LEU . 44.4 m-85 -118.51 41.33 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.4 pttp -106.6 58.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.9 p -94.02 157.14 16.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.25 158.92 25.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 93.99 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.638 2.225 . . . . 0.0 112.369 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.6 m -55.81 103.72 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 6.5 t -55.76 -59.85 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.3 t -85.64 123.04 30.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.894 0.378 . . . . 0.0 110.813 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.3 p -71.37 -52.65 17.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.824 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.07 -74.49 0.15 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.2 p -139.82 124.36 18.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.908 0.385 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.1 t -81.81 -50.7 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.34 67.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.4 t -144.33 173.72 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.692 0.282 . . . . 0.0 111.204 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' OG1' ' A' ' 8' ' ' THR . 1.5 mp0 -57.74 -19.05 24.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' HB3' HG23 ' A' ' 8' ' ' THR . 8.2 tp10 -55.74 -38.69 70.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.05 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.7 tp -78.75 -57.77 3.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.67 HD13 HD12 ' A' ' 31' ' ' LEU . 24.1 tp -44.63 -56.53 4.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NE ' ' OE2' ' A' ' 10' ' ' GLU . 98.0 mtt180 -51.97 -50.07 61.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -54.38 -49.68 69.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.63 -47.18 87.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.834 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.675 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 69.1 mt-30 -49.72 -41.0 42.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.42 -41.12 85.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -68.46 -60.6 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.521 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.5 p -61.58 -23.7 66.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.675 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -46.47 -22.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.06 49.65 2.47 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.474 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.5 t80 -155.21 126.44 3.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.708 0.765 . . . . 0.0 110.911 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.0 Cg_endo -69.77 110.01 2.45 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.34 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.21 -35.22 4.67 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG11 ' HB ' ' A' ' 20' ' ' THR . 57.9 t -73.39 110.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' SER . 10.9 t60 -129.35 78.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.457 HG13 ' NE1' ' A' ' 35' ' ' TRP . 94.3 t -56.52 80.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' HIS . 80.8 p -76.0 -22.45 55.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.806 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -175.17 169.8 3.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD12 HD13 ' A' ' 13' ' ' LEU . 7.7 mp -95.74 36.93 1.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 p -109.94 -72.1 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -114.11 -21.92 10.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -51.63 -27.38 11.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.457 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.7 m95 -101.42 -8.43 22.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.98 41.83 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.25 -32.25 1.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.66 -61.49 0.38 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.49 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.6 mt -45.17 -51.74 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.792 0.33 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.19 -52.98 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.108 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.6 mt -68.57 -40.0 80.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.523 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -55.55 -55.49 31.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.498 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -51.36 -53.5 35.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.084 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 tp -52.94 -49.52 65.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 41' ' ' LEU . 91.4 t -63.28 -66.13 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.14 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.801 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 32.4 m-85 -41.96 -55.27 3.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.592 HD22 ' CD1' ' A' ' 109' ' ' PHE . 11.9 mt -39.06 -41.01 0.75 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.662 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.6 mt-30 -128.23 100.29 23.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.628 0.728 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.7 Cg_endo -69.81 -16.75 37.5 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.635 2.223 . . . . 0.0 112.344 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.08 49.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.629 HD11 ' HG3' ' A' ' 77' ' ' GLU . 7.0 mt -52.52 157.17 1.59 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.855 0.359 . . . . 0.0 110.842 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.581 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -50.68 179.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.775 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.581 ' N ' HD22 ' A' ' 53' ' ' LEU . 24.0 mt-10 -114.04 159.65 35.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.719 0.771 . . . . 0.0 110.842 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.512 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.77 8.32 0.8 Allowed 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.3 m -31.87 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 12.6 mp0 -89.3 -41.58 12.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.936 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.4 mp -54.18 -21.49 8.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -56.27 -39.45 72.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.944 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.42 45.23 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.5 mt -116.44 179.44 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 0.0 110.949 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.45 155.4 27.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.495 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.15 -40.08 6.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 111.044 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.94 -49.46 10.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 61' ' ' LEU . 65.5 mm-40 -42.17 -39.4 2.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.84 -52.94 46.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 HG23 HD12 ' A' ' 41' ' ' LEU . 4.1 m -51.96 -37.51 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.157 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.37 -56.61 12.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CE2' HG21 ' A' ' 73' ' ' VAL . 78.8 t90 -55.52 -60.91 2.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -38.87 -57.71 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD23 ' OH ' ' A' ' 101' ' ' TYR . 11.0 mt -58.44 -28.53 65.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.1 ttmt -75.5 -65.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -53.37 -27.54 14.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.08 -33.72 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -85.64 -19.93 30.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 76.9 m-20 -92.12 -63.26 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.629 ' HG3' HD11 ' A' ' 52' ' ' LEU . 4.1 mm-40 -72.67 -69.93 0.38 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.662 HD23 ' OE1' ' A' ' 49' ' ' GLN . 14.4 mt -61.71 -28.69 69.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 8.52 84.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.549 HG23 ' HB3' ' A' ' 104' ' ' HIS . 50.5 mm -70.6 81.81 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.898 0.38 . . . . 0.0 111.091 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 82' ' ' PRO . 27.8 m -36.01 135.14 0.54 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.655 0.74 . . . . 0.0 111.098 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.3 Cg_endo -69.86 104.26 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.822 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -79.07 -28.54 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.822 HG23 HG13 ' A' ' 83' ' ' VAL . 73.9 t -119.04 148.21 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 61.1 m -79.05 127.62 32.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.22 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.433 ' HA ' HD11 ' A' ' 64' ' ' LEU . 38.6 tt0 -62.24 -55.52 27.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.04 -42.79 39.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 83.2 t -54.17 -60.43 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 HG21 HD12 ' A' ' 64' ' ' LEU . 97.2 t -65.1 -57.01 12.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -48.12 -19.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.12 23.74 57.73 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -75.98 -41.29 51.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.934 0.397 . . . . 0.0 110.909 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -113.45 86.71 10.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.2 Cg_endo -69.75 -31.39 20.66 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.401 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.1 mp -63.5 -47.37 81.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.543 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -52.22 -54.75 25.04 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' N ' HG21 ' A' ' 84' ' ' VAL . 46.8 tp -47.74 -59.56 3.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 0.0 110.926 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 86.6 mt -46.26 -47.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.67 -28.87 68.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.562 ' OH ' HD23 ' A' ' 71' ' ' LEU . 26.6 t80 -69.5 -53.25 20.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.924 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.1 mt -55.62 -41.47 73.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 p -48.15 -38.7 18.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.549 ' HB3' HG23 ' A' ' 80' ' ' ILE . 13.8 m170 -58.2 -46.46 85.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -55.81 -59.08 5.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 109' ' ' PHE . 10.1 t-160 -58.67 -55.96 28.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.8 m -43.05 -25.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -99.58 -27.04 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.592 ' CD1' HD22 ' A' ' 48' ' ' LEU . 76.9 m-85 -118.14 41.77 2.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -113.78 166.85 11.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.3 t -174.39 152.44 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 73.32 164.25 8.75 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 -50.69 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.363 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.4 t -87.2 -57.79 2.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.2 m -161.85 153.03 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.568 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 p -102.68 94.59 5.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.833 0.349 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 t -48.36 125.19 9.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.47 55.08 4.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -151.35 134.95 16.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.863 0.363 . . . . 0.0 110.874 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -150.94 160.83 43.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.32 80.48 0.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.457 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' GLU . 14.4 m -138.67 143.97 39.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.767 0.318 . . . . 0.0 111.169 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -36.65 -33.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' THR . 4.8 tp10 -42.35 -58.74 2.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.822 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -44.3 -36.01 2.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -79.16 -51.48 9.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 tp -49.53 -64.04 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -46.89 -51.62 16.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 59.3 t90 -52.73 -45.08 66.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.929 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -64.72 -46.39 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.502 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 85.7 mt-30 -49.36 -45.41 45.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.937 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -61.63 -44.78 96.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -65.26 -60.85 2.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.544 ' HB ' HG11 ' A' ' 26' ' ' VAL . 71.4 p -57.88 -27.87 63.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -49.66 147.45 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 96.2 -47.32 1.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.427 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 2.1 t80 -51.38 126.35 28.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.751 0.786 . . . . 0.0 110.932 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 107.79 1.95 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.16 26.64 7.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.544 HG11 ' HB ' ' A' ' 20' ' ' THR . 40.5 t -130.33 109.92 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 111.105 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.8 t-160 -121.88 83.8 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.439 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.8 t -83.37 82.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 p -83.98 -14.75 49.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -167.74 -178.11 3.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 3.4 mt -111.75 31.6 6.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 m -115.3 -73.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.9 m -120.36 40.47 3.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -121.22 -15.0 8.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.674 ' HB2' HD21 ' A' ' 98' ' ' LEU . 31.7 m95 -103.48 -18.01 14.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.442 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -43.07 -50.93 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.084 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -36.18 -36.16 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.95 -41.58 2.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.5 mt -52.79 -46.0 67.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.776 0.322 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -36.56 -66.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.089 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -52.42 -34.53 48.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 39' ' ' LEU . 9.3 m -65.91 -48.18 72.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' TYR . . . -59.51 -40.98 88.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.2 tp -62.61 -46.58 87.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 41' ' ' LEU . 79.8 t -63.81 -62.94 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.788 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 37.7 m-85 -44.95 -48.94 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.9 mmt-85 -59.87 -62.93 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.752 HD22 ' CD2' ' A' ' 109' ' ' PHE . 18.3 mt -35.71 -40.32 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.614 ' OE1' HD23 ' A' ' 78' ' ' LEU . 21.9 mt-30 -131.49 99.77 17.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.586 0.708 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.59 14.37 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.48 -42.51 9.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.9 mt -57.15 154.17 10.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -46.36 174.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -108.5 158.69 33.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.67 0.748 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.6 Cg_endo -69.72 8.37 0.78 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.715 2.277 . . . . 0.0 112.338 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' O ' ' A' ' 55' ' ' PRO . 30.2 t -32.47 -35.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 55' ' ' PRO . 11.4 mt-10 -86.91 -43.06 12.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.5 mp -53.3 -25.93 16.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -48.51 -41.66 30.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -115.1 50.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.3 mt -120.48 160.52 22.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 0.0 110.87 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.73 149.73 49.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -42.24 -29.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 111.181 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.696 HD12 HG21 ' A' ' 90' ' ' VAL . 9.7 tp -86.43 -56.87 3.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.997 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 64' ' ' LEU . 6.9 mm-40 -37.7 -34.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.43 -67.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.1 m -43.5 -36.4 2.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.04 -53.72 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.882 ' CE2' HG21 ' A' ' 73' ' ' VAL . 84.6 t90 -56.21 -61.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.02 -60.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -52.99 -29.69 30.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.4 tttt -77.15 -69.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.882 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.7 t -50.82 -21.74 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -82.58 -40.43 20.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -79.48 -21.56 45.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.459 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 35.4 m-80 -88.38 -64.32 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.736 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.2 mm-40 -76.95 -72.19 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.614 HD23 ' OE1' ' A' ' 49' ' ' GLN . 15.1 mt -55.82 -24.06 33.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.6 15.77 64.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.531 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.545 HG21 ' CE1' ' A' ' 105' ' ' PHE . 44.2 mm -76.72 85.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 111.107 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 80' ' ' ILE . 36.6 m -36.65 130.08 0.69 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.197 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 99.52 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -74.98 -28.0 20.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 53.6 t -121.12 151.58 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 147.9 29.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.54 67.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 7.0 tt0 -75.84 -26.74 57.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.88 -44.12 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD22 ' A' ' 98' ' ' LEU . 95.2 t -60.47 -57.77 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.696 HG21 HD12 ' A' ' 64' ' ' LEU . 43.4 t -61.37 -49.11 85.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 87' ' ' GLN . . . -73.01 2.0 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.34 17.25 1.08 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.451 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.0 p -57.94 -28.21 64.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -133.79 86.76 37.77 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.588 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.0 Cg_endo -69.73 -23.46 30.88 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.9 mp -79.86 -45.45 18.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.559 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -54.53 -49.08 62.28 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.674 HD21 ' HB2' ' A' ' 35' ' ' TRP . 28.6 tp -50.16 -51.7 41.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.786 0.327 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.8 mt -52.9 -54.52 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -61.36 -27.92 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.571 ' HB2' HG12 ' A' ' 83' ' ' VAL . 21.6 t80 -68.08 -51.51 45.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.44 -38.77 85.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -47.59 -39.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.407 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 14.9 m170 -57.97 -35.86 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.545 ' CE1' HG21 ' A' ' 80' ' ' ILE . 29.6 m-85 -66.63 -54.82 19.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.804 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 15' ' ' TRP . 25.2 t-80 -62.26 -60.33 3.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.467 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 2.9 t -44.23 -23.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -101.27 -28.94 12.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.752 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.8 m-85 -115.9 43.18 2.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 107' ' ' SER . 7.6 ptmt -112.22 67.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 39.7 m -103.18 -64.77 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 169.7 8.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 94.02 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.721 2.28 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -116.37 43.36 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 50.5 m -118.02 89.09 3.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.494 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.8 m -153.54 132.59 12.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.372 . . . . 0.0 110.888 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -62.36 -58.61 7.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.11 -104.88 0.98 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.1 m 47.61 42.8 15.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.08 170.73 7.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.95 50.17 3.67 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.54 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.05 166.48 23.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.777 0.322 . . . . 0.0 111.099 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' HG2' ' CG2' ' A' ' 99' ' ' ILE . 21.9 mp0 -101.31 25.01 8.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 tt0 -66.92 -45.49 77.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.43 -28.4 63.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 103' ' ' SER . 21.5 tp -77.03 -52.88 8.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.52 -59.0 5.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.9 mtm180 -50.5 -53.96 25.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.485 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 67.9 t90 -49.14 -50.53 37.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.72 -42.77 99.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 92.5 mt-30 -53.01 -45.1 67.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -65.75 -40.06 91.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -65.81 -58.45 5.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 71.7 p -60.0 -42.12 93.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' THR . . . -35.82 136.28 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.138 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.01 -53.83 0.62 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.558 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.47 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 2.2 t80 -43.94 132.89 4.14 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.718 0.771 . . . . 0.0 110.886 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 54.2 Cg_endo -69.69 98.97 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.727 2.285 . . . . 0.0 112.369 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.53 40.42 2.56 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.451 HG21 ' HB2' ' A' ' 43' ' ' ALA . 94.6 t -148.67 112.07 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 111.095 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.0 t-160 -132.38 77.58 1.76 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.623 HG13 ' NE1' ' A' ' 35' ' ' TRP . 71.8 t -65.11 93.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.419 ' HB2' ' NE2' ' A' ' 27' ' ' HIS . 36.8 t -91.08 -17.97 25.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.01 157.07 2.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.767 HD22 ' CD1' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -83.96 34.18 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -94.67 -75.38 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 36' ' ' ALA . 57.1 m -120.14 -27.73 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.834 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 m -45.36 -28.92 0.94 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.683 ' CZ3' ' CD2' ' A' ' 102' ' ' LEU . 57.7 m95 -92.42 -23.02 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -79.73 42.7 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -124.66 -27.7 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.69 -61.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' ALA . 12.1 mt -52.28 -50.25 62.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' TRP . . . -34.16 -64.48 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.1 mt -58.31 -36.35 73.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.754 ' SG ' HD23 ' A' ' 58' ' ' LEU . 34.9 m -58.33 -52.85 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -55.48 -50.26 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.5 -49.5 67.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 41' ' ' LEU . 88.3 t -63.66 -65.56 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.798 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 43.5 m-85 -44.69 -57.28 3.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.971 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 10.9 tpt180 -46.18 -60.06 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.904 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.0 mt -36.31 -60.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.557 ' HB3' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -118.28 105.5 46.49 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.548 0.689 . . . . 0.0 110.89 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -27.5 26.27 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.724 2.283 . . . . 0.0 112.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.09 -38.42 76.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.567 HD21 ' HG3' ' A' ' 77' ' ' GLU . 2.8 mt -61.08 154.7 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.64 176.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' N ' HD22 ' A' ' 53' ' ' LEU . 7.7 mm-40 -112.06 159.6 33.07 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.689 0.756 . . . . 0.0 110.895 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.0 Cg_endo -69.72 7.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.464 ' C ' ' O ' ' A' ' 55' ' ' PRO . 45.4 p -33.27 -34.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 55' ' ' PRO . 46.9 mt-10 -88.03 -42.06 12.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.83 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.754 HD23 ' SG ' ' A' ' 42' ' ' CYS . 10.9 mp -54.2 -31.78 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -49.43 -40.86 38.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.05 36.67 4.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.73 HD12 ' HA ' ' A' ' 58' ' ' LEU . 15.3 mt -116.18 157.58 24.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.928 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.72 157.27 42.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.531 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -45.44 -40.52 8.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.124 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 HG21 ' A' ' 90' ' ' VAL . 9.5 tp -81.41 -48.98 11.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.0 mm-40 -39.0 -41.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.403 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -65.44 -52.26 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 23.3 m -49.24 -43.5 42.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.114 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -47.17 -53.03 14.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 85.1 t90 -54.43 -61.75 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.96 -60.99 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 82' ' ' PRO . 13.0 mt -53.63 -29.9 40.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 69' ' ' TRP . 1.4 ttpm? -76.19 -67.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.0 t -54.79 -20.88 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -85.27 -27.98 25.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -92.01 -21.39 20.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -88.93 -63.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.567 ' HG3' HD21 ' A' ' 52' ' ' LEU . 22.5 mm-40 -77.01 -73.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.809 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.1 mt -53.3 -28.19 26.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.41 3.8 72.32 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 74' ' ' ALA . 50.6 mm -71.03 93.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 111.148 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 82' ' ' PRO . 87.4 m -47.22 136.8 8.73 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 111.179 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.563 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.9 Cg_endo -69.78 94.13 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.713 2.275 . . . . 0.0 112.275 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.844 HG13 HG23 ' A' ' 84' ' ' VAL . 1.5 p -69.12 -22.7 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.844 HG23 HG13 ' A' ' 83' ' ' VAL . 80.3 t -128.53 142.01 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.444 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -70.26 147.7 49.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -50.99 -39.71 56.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.422 ' HA ' HD11 ' A' ' 64' ' ' LEU . 1.5 tm0? -67.89 -53.24 28.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.72 -40.36 60.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG23 HG12 ' A' ' 84' ' ' VAL . 69.6 t -58.74 -65.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 99.5 t -66.13 -57.77 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -39.92 -42.47 1.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.066 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.38 33.65 11.46 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t -87.24 -42.76 12.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.874 0.368 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -113.77 89.76 16.89 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.653 0.739 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.414 ' HG2' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.81 -27.95 25.59 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.621 2.214 . . . . 0.0 112.377 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.414 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.7 mp -71.24 -50.81 29.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.536 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -48.58 -48.66 28.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD21 ' HB2' ' A' ' 35' ' ' TRP . 17.6 tp -49.57 -54.31 18.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.863 0.363 . . . . 0.0 110.93 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' CG2' ' HG2' ' A' ' 9' ' ' GLN . 59.8 mt -52.22 -52.85 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.9 -36.9 75.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.502 ' HB2' HG12 ' A' ' 83' ' ' VAL . 12.2 t80 -59.18 -48.7 80.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.767 ' CD1' HD22 ' A' ' 31' ' ' LEU . 10.4 mt -60.75 -50.14 74.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.969 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.447 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 p -40.63 -38.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.426 ' HB3' HD12 ' A' ' 80' ' ' ILE . 14.0 m170 -59.41 -44.45 92.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -61.18 -48.67 80.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 19.8 t-80 -68.2 -62.91 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.465 ' HA ' ' CD ' ' A' ' 110' ' ' LYS . 6.1 t -34.85 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -91.07 -47.24 7.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.075 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.904 ' CD2' HD22 ' A' ' 48' ' ' LEU . 34.0 m-85 -96.08 43.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.3 ptmm? -114.08 135.12 54.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.8 t -120.25 85.09 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.799 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -98.43 -157.82 29.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -178.73 2.52 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.704 2.269 . . . . 0.0 112.288 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.8 t -122.97 -49.65 1.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.1 m -54.38 -55.24 30.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.811 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -64.96 -55.77 17.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.857 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -46.4 104.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.61 164.63 11.36 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -83.69 44.66 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.912 0.387 . . . . 0.0 110.88 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.4 m -45.57 -41.35 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.52 58.43 0.19 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -143.96 157.6 44.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.708 0.289 . . . . 0.0 111.156 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -82.67 -32.37 28.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.989 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -43.26 -55.34 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 12' ' ' LEU . 11.1 pt-20 -57.46 -37.82 73.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.638 HD21 ' HB2' ' A' ' 102' ' ' LEU . 64.9 tp -67.31 -37.07 82.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 21.4 tp -64.89 -55.9 16.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.5 mtp85 -52.08 -57.85 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -48.96 -39.37 26.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 75.8 m -70.58 -42.61 70.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 77.0 mt-30 -55.02 -39.13 68.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -63.45 -43.47 97.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 56.4 mm-40 -72.46 -59.35 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 HG21 ' A' ' 28' ' ' VAL . 63.0 p -55.5 -18.72 7.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.5 172.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.24 -54.85 2.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.494 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.3 t80 -49.94 126.97 20.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.726 0.774 . . . . 0.0 110.908 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.494 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.73 125.09 11.75 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 122.748 2.298 . . . . 0.0 112.384 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -34.91 4.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 43' ' ' ALA . 81.5 t -69.11 109.4 2.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.779 0.323 . . . . 0.0 111.148 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 t-160 -125.64 77.1 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.809 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG21 HG21 ' A' ' 20' ' ' THR . 71.0 t -73.33 101.06 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.7 t -103.82 -29.07 11.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -146.83 -175.75 4.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.3 mp -114.5 34.89 4.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -112.58 -69.34 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.4 t -112.35 -29.65 7.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.775 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m -43.76 -29.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.745 ' HB2' HD21 ' A' ' 98' ' ' LEU . 56.3 m95 -97.12 -29.95 13.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.7 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -44.36 -44.55 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.068 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -39.38 -47.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.4 -44.35 1.46 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.507 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.2 mt -53.57 -47.34 70.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.946 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.89 -65.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 45' ' ' VAL . 10.9 mt -55.54 -40.34 71.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' O ' ' CD2' ' A' ' 46' ' ' TYR . 18.8 m -57.21 -46.91 82.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -61.03 -57.27 13.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 tp -46.91 -47.67 21.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 41' ' ' LEU . 73.8 t -60.3 -60.73 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.789 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 37.7 m-85 -45.7 -56.82 4.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -51.22 -60.58 2.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' ARG . 18.9 mt -34.44 -43.26 0.16 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.615 ' HB3' HD12 ' A' ' 52' ' ' LEU . 13.3 tt0 -134.31 102.05 11.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.563 0.696 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.04 17.63 Favored 'Trans proline' 0 N--CA 1.466 -0.133 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.54 -35.05 23.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD21 ' CD ' ' A' ' 77' ' ' GLU . 4.3 mt -62.84 152.79 35.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -45.68 171.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -109.26 161.53 23.54 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 110.84 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.511 ' O ' ' N ' ' A' ' 58' ' ' LEU . 54.1 Cg_endo -69.78 8.86 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.48 ' C ' ' O ' ' A' ' 55' ' ' PRO . 3.2 t -32.13 -36.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 55' ' ' PRO . 69.2 mm-40 -89.89 -40.83 12.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.869 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.3 mp -54.48 -23.14 14.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -53.47 -40.98 65.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.54 45.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.869 HD12 ' HA ' ' A' ' 58' ' ' LEU . 12.8 mt -114.92 179.66 3.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.369 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.37 157.87 24.2 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.534 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.08 -37.45 6.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.357 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.2 tp -81.04 -54.01 5.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.515 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.6 mm-40 -39.81 -37.09 0.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.828 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.515 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -62.25 -68.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.112 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 28.2 m -41.79 -38.56 1.51 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.34 -55.12 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.898 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.9 t90 -56.91 -62.93 1.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.85 -57.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.048 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 82' ' ' PRO . 53.4 mt -56.47 -31.19 63.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 69' ' ' TRP . 45.8 tttp -75.42 -61.57 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.898 HG21 ' CE2' ' A' ' 69' ' ' TRP . 49.2 t -59.43 -19.17 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.506 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -95.8 3.21 53.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 82' ' ' PRO . 15.2 tm-20 -120.13 -27.91 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -88.77 -46.99 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.719 ' CD ' HD21 ' A' ' 52' ' ' LEU . 15.2 mt-10 -93.03 -70.19 0.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.569 HD11 HG13 ' A' ' 45' ' ' VAL . 13.9 mt -57.56 -26.36 61.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.68 -10.21 39.57 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.459 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 74' ' ' ALA . 30.2 mm -59.24 88.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.905 0.384 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -51.92 132.47 39.07 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.548 0.69 . . . . 0.0 111.156 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.662 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.4 Cg_endo -69.84 100.35 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 0.0 112.359 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -70.52 -30.52 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.806 HG23 HG13 ' A' ' 83' ' ' VAL . 78.4 t -115.59 135.78 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.136 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 86' ' ' ALA . 13.0 m -70.31 130.02 40.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -33.86 -47.63 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.453 ' HA ' HD11 ' A' ' 64' ' ' LEU . 52.4 tt0 -52.0 -55.21 21.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.91 -44.54 74.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.41 -59.31 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 ' O ' ' A' ' 36' ' ' ALA . 83.2 t -69.83 -60.64 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.35 -46.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 88.48 37.12 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 44.1 t -93.19 -43.71 8.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -111.89 87.77 9.02 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.913 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -29.37 24.09 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.51 -50.78 57.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.524 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.32 -56.2 8.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.512 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 35' ' ' TRP . 46.1 tp -46.59 -57.62 4.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.825 0.345 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 67.5 mt -49.51 -49.7 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.25 -30.79 71.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.617 ' HB2' HG12 ' A' ' 83' ' ' VAL . 16.4 t80 -65.91 -53.21 42.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.638 ' HB2' HD21 ' A' ' 12' ' ' LEU . 56.3 mt -51.72 -39.13 57.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.6 p -49.71 -37.2 28.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -60.55 -38.67 85.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.419 ' CE2' HG21 ' A' ' 80' ' ' ILE . 67.0 m-85 -67.74 -52.03 42.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.564 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 12.8 t-160 -66.38 -65.4 0.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 106' ' ' HIS . 8.7 t -34.45 -35.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -86.72 -51.12 6.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.422 ' CG ' HD22 ' A' ' 48' ' ' LEU . 66.8 m-85 -96.65 42.6 1.09 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.564 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 9.6 mttp -68.79 -41.72 78.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.9 p -78.22 110.98 13.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.98 -170.69 27.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.555 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -14.78 36.76 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.374 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -78.07 -56.14 4.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.6 t -44.87 123.66 3.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -67.28 135.71 53.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.863 0.363 . . . . 0.0 110.859 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.36 107.27 19.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.04 82.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -117.98 141.25 48.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.899 0.38 . . . . 0.0 110.862 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 m -145.63 165.71 27.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.8 -152.79 21.86 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.623 HG23 ' H ' ' A' ' 10' ' ' GLU . 14.8 t -48.66 161.02 0.14 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.738 0.304 . . . . 0.0 111.182 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -87.11 22.57 2.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.623 ' H ' HG23 ' A' ' 8' ' ' THR . 22.5 tt0 -66.86 -51.89 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -58.64 -45.64 88.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.698 HD21 ' HB2' ' A' ' 102' ' ' LEU . 50.2 tp -60.48 -48.76 80.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD13 HD12 ' A' ' 31' ' ' LEU . 19.1 tp -55.05 -48.68 73.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -61.98 -52.11 65.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.51 ' CE3' ' HB2' ' A' ' 106' ' ' HIS . 83.5 t90 -51.98 -39.04 58.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 76.3 m -75.07 -36.05 61.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -58.08 -39.85 79.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -66.31 -41.82 89.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -68.06 -51.56 45.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.507 HG21 HG21 ' A' ' 28' ' ' VAL . 68.9 p -67.37 -14.4 62.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.21 -11.65 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.96 52.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.2 t80 -162.18 128.36 2.37 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.649 0.737 . . . . 0.0 110.969 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.542 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.6 Cg_endo -69.77 128.57 16.21 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.647 2.232 . . . . 0.0 112.36 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.61 -27.24 12.73 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.535 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 23' ' ' TYR . 32.5 t -79.81 111.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.847 0.356 . . . . 0.0 111.148 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.85 73.29 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.507 HG21 HG21 ' A' ' 20' ' ' THR . 78.9 t -66.0 101.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.093 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 p -107.92 -5.51 17.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.88 -176.28 2.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' ' 99' ' ' ILE . 7.5 mp -116.46 28.02 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.6 t -100.55 -70.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 36' ' ' ALA . 3.0 t -116.9 -27.36 6.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -41.31 -25.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.723 ' HB2' HD21 ' A' ' 98' ' ' LEU . 58.9 m95 -101.55 -27.4 13.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -39.28 -55.04 1.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' ALA . 25.2 m-20 -36.11 -45.21 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.792 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.56 -38.08 3.34 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' CYS . 12.5 mt -52.67 -50.96 62.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.28 -62.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.075 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.59 ' O ' HG23 ' A' ' 45' ' ' VAL . 6.9 mt -54.57 -38.28 66.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.571 ' SG ' HD23 ' A' ' 58' ' ' LEU . 26.7 m -58.78 -50.18 74.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.0 -49.55 77.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD21 ' CG ' ' A' ' 105' ' ' PHE . 16.7 tp -55.13 -42.7 73.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 41' ' ' LEU . 95.1 t -71.15 -60.92 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 33.3 m-85 -47.85 -53.46 15.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -55.19 -64.19 0.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.906 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.586 HD22 ' CD2' ' A' ' 109' ' ' PHE . 17.5 mt -34.38 -43.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.621 ' OE1' HD23 ' A' ' 78' ' ' LEU . 20.8 mt-30 -128.26 99.72 24.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.641 0.734 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.38 37.0 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.777 2.318 . . . . 0.0 112.354 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.98 -40.37 88.87 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.698 HD13 ' CG1' ' A' ' 73' ' ' VAL . 7.3 mt -56.82 156.16 6.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.952 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -49.25 -179.99 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.573 ' N ' HD22 ' A' ' 53' ' ' LEU . 5.3 mp0 -111.53 158.82 35.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.659 0.743 . . . . 0.0 110.906 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.561 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.6 Cg_endo -69.7 7.32 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.658 2.239 . . . . 0.0 112.389 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.473 ' C ' ' O ' ' A' ' 55' ' ' PRO . 82.9 p -32.31 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' PRO . 20.2 mt-10 -87.1 -43.07 12.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.1 mp -53.87 -26.19 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.983 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -52.57 -41.86 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.954 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -109.59 45.26 1.34 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.488 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.1 mt -121.58 157.53 30.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -66.81 160.95 47.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.437 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -48.79 -31.47 7.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.104 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.464 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -85.19 -53.36 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.407 ' HB3' HD22 ' A' ' 61' ' ' LEU . 46.3 mm-40 -39.51 -31.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.36 -70.91 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.99 -35.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.4 -52.76 52.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.1 t90 -59.11 -55.24 37.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -44.33 -57.64 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.591 HD12 ' HB2' ' A' ' 86' ' ' ALA . 50.1 mt -53.81 -26.49 24.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -81.0 -68.43 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CE2' ' A' ' 69' ' ' TRP . 51.9 t -53.49 -17.92 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.34 -36.46 17.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 -83.16 -17.43 42.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -93.98 -65.86 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.61 ' HG3' HD21 ' A' ' 52' ' ' LEU . 4.5 mm-40 -70.28 -66.14 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD23 ' OE1' ' A' ' 49' ' ' GLN . 9.3 mt -66.45 -22.07 66.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 68.37 12.38 63.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 29.3 mm -73.76 90.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.954 0.407 . . . . 0.0 111.194 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.2 m -43.4 133.33 3.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 103.0 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.676 2.251 . . . . 0.0 112.306 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.791 HG13 HG23 ' A' ' 84' ' ' VAL . 2.1 p -78.38 -30.99 15.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.791 HG23 HG13 ' A' ' 83' ' ' VAL . 71.5 t -114.67 149.27 16.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 87' ' ' GLN . 6.5 m -81.7 126.67 32.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.591 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -34.51 -33.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.115 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 85' ' ' SER . 0.5 OUTLIER -67.41 -53.32 30.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -55.55 -44.52 76.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 96.0 t -48.62 -53.16 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.585 HG22 ' O ' ' A' ' 36' ' ' ALA . 58.8 t -72.7 -53.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.12 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.69 -18.04 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.08 16.77 8.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.497 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -82.17 -9.4 59.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -134.42 86.39 35.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.675 0.75 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.616 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.81 -50.83 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD12 ' HG2' ' A' ' 95' ' ' PRO . 5.7 mp -48.33 -51.81 24.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.572 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -49.62 -56.12 12.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.509 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.723 HD21 ' HB2' ' A' ' 35' ' ' TRP . 32.7 tp -55.33 -51.12 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.694 0.283 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.459 ' HA ' HD23 ' A' ' 31' ' ' LEU . 67.5 mt -51.82 -44.76 37.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.25 -43.48 77.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 83' ' ' VAL . 9.7 t80 -53.0 -49.43 66.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.988 0.423 . . . . 0.0 110.923 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.698 ' HB2' HD21 ' A' ' 12' ' ' LEU . 82.4 mt -59.01 -36.72 75.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 8.1 t -51.94 -38.05 55.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 104' ' ' HIS . 6.9 m170 -63.17 -41.5 99.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.413 ' CG ' HD21 ' A' ' 44' ' ' LEU . 59.0 m-85 -59.66 -50.24 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 14.5 t-160 -69.41 -65.16 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 106' ' ' HIS . 3.5 m -35.25 -34.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -87.72 -57.42 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.093 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.586 ' CD2' HD22 ' A' ' 48' ' ' LEU . 51.2 m-85 -87.36 39.11 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 106' ' ' HIS . 13.6 mtmm -68.81 168.27 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.3 t 38.59 37.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.81 -160.31 25.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.454 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 97.28 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.3 t -112.97 101.85 9.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 87.3 p -76.29 128.23 34.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.566 -0.213 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -73.6 171.93 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.923 0.392 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -124.43 175.93 6.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.18 172.88 38.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.453 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -65.24 132.75 49.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 p -99.2 129.65 45.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 53.0 3.98 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.5 m -149.01 142.43 25.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.716 0.294 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -88.95 42.37 1.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -86.09 -56.01 3.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -61.71 -31.78 71.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 HD21 ' HB2' ' A' ' 102' ' ' LEU . 65.8 tp -68.43 -45.95 71.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD13 ' CD1' ' A' ' 31' ' ' LEU . 31.3 tp -55.24 -74.22 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -39.92 -49.32 2.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.517 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 60.5 t90 -52.44 -47.96 66.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 39.1 m -61.79 -43.04 99.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.1 mt-30 -51.33 -44.52 62.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -65.52 -39.13 91.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.17 -60.83 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.582 HG21 HG21 ' A' ' 28' ' ' VAL . 77.0 p -57.29 -37.76 72.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -37.39 143.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.63 -53.15 0.73 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HD2' ' A' ' 24' ' ' PRO . 1.0 OUTLIER -52.02 126.84 35.55 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 110.902 -179.787 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD2' ' CD1' ' A' ' 23' ' ' TYR . 53.9 Cg_endo -69.79 108.27 2.05 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.648 2.232 . . . . 0.0 112.305 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.79 26.85 8.25 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.435 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG22 ' HB3' ' A' ' 39' ' ' LEU . 56.3 t -130.67 113.83 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.059 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -130.84 97.4 4.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.582 HG21 HG21 ' A' ' 20' ' ' THR . 90.4 t -88.76 88.84 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -91.49 -13.64 31.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.826 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.518 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -164.64 -175.3 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 30' ' ' ASP . 8.4 mp -117.71 26.39 9.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.5 t -100.49 -63.29 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -123.95 -21.27 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -50.41 -22.42 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.5 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 39.0 m95 -102.82 -25.84 13.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -41.67 -46.19 3.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.112 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -40.0 -45.02 1.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.79 -42.0 2.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.3 mt -55.5 -46.78 76.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.97 -60.84 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.2 mt -55.83 -40.18 72.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.516 ' SG ' HD23 ' A' ' 58' ' ' LEU . 13.6 m -59.9 -55.31 35.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.04 -42.09 68.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 tp -62.46 -42.12 99.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.6 t -71.73 -60.83 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.783 ' CE2' ' CZ3' ' A' ' 69' ' ' TRP . 45.4 m-85 -48.88 -45.53 41.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' LEU . 4.4 tpm_? -65.27 -60.47 2.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.3 mt -35.76 -48.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.434 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 5.0 tt0 -124.59 100.02 35.29 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.515 0.674 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.0 Cg_endo -69.7 -7.5 21.19 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.353 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -76.82 -31.19 54.48 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.419 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.689 HD21 ' CG ' ' A' ' 77' ' ' GLU . 3.3 mt -70.44 152.32 44.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -44.89 169.74 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -109.33 154.76 42.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.581 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.8 89.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.679 2.253 . . . . 0.0 112.395 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 t -92.71 -30.96 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.26 -37.36 8.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.811 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.7 mp -51.81 -26.52 9.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -46.86 -37.82 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -131.65 51.46 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.428 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.811 HD12 ' HA ' ' A' ' 58' ' ' LEU . 17.5 mt -110.08 165.16 11.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -68.79 145.62 43.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.452 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -38.8 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.085 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 87' ' ' GLN . 9.9 tp -88.14 -55.66 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 4.1 mm-40 -35.66 -42.95 0.26 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.22 -71.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 71' ' ' LEU . 14.5 m -38.71 -36.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -51.68 -54.91 22.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.831 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 76.1 t90 -58.83 -57.57 12.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.9 -60.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 67' ' ' THR . 10.7 mt -54.09 -21.77 9.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.425 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 ttmp? -84.0 -68.18 0.74 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.831 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 21.7 t -50.14 -30.81 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -75.1 -37.08 61.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.165 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 13.3 tm-20 -82.05 -17.99 44.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 50.1 m-20 -94.56 -63.4 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.689 ' CG ' HD21 ' A' ' 52' ' ' LEU . 19.6 mm-40 -73.1 -67.98 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.58 -28.82 70.19 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 73.83 14.45 80.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.518 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 81' ' ' THR . 43.0 mm -74.9 83.44 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.113 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 ' C ' ' O ' ' A' ' 80' ' ' ILE . 1.9 m -33.74 131.47 0.39 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.588 0.709 . . . . 0.0 111.188 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 95.15 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.787 HG13 HG23 ' A' ' 84' ' ' VAL . 3.1 p -66.82 -40.76 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.787 HG23 HG13 ' A' ' 83' ' ' VAL . 72.2 t -105.03 155.12 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.438 ' N ' HG12 ' A' ' 84' ' ' VAL . 4.0 m -86.25 132.22 34.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -37.64 -39.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.445 ' HA ' HD11 ' A' ' 64' ' ' LEU . 20.7 tt0 -64.83 -54.46 30.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.51 -46.22 63.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 73.2 t -49.51 -56.73 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 36' ' ' ALA . 97.3 t -68.55 -60.8 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.181 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -45.28 -21.23 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.45 22.29 56.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 p -73.57 -41.09 63.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 0.0 110.9 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -110.16 87.37 5.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.571 0.7 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -24.58 29.62 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.622 2.214 . . . . 0.0 112.382 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -70.95 -49.97 39.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.586 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -50.82 -53.19 27.16 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG21 ' A' ' 84' ' ' VAL . 55.7 tp -53.47 -57.0 12.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.817 0.342 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 94.7 mt -47.64 -50.77 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.54 94.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' HG12 ' A' ' 83' ' ' VAL . 10.2 t80 -53.19 -59.43 4.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.647 ' HB2' HD21 ' A' ' 12' ' ' LEU . 92.4 mt -48.49 -43.29 34.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.5 t -40.86 -42.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.402 ' N ' ' CD2' ' A' ' 104' ' ' HIS . 9.6 m170 -60.61 -45.05 95.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -57.95 -50.33 73.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.933 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.517 ' HA ' ' CH2' ' A' ' 15' ' ' TRP . 12.6 t-80 -67.47 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 55.8 m -38.17 -29.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -93.9 -37.38 11.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 48' ' ' LEU . 38.4 m-85 -109.37 40.68 1.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.802 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.438 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 9.2 pttp -109.21 140.27 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 33.6 t 60.24 38.99 19.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 66.34 178.52 9.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.553 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -6.15 17.94 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.278 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.4 t -117.34 104.73 11.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 99.4 p -87.62 140.52 29.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.502 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -133.92 85.32 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 m -81.2 -50.1 9.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.47 64.66 0.83 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.448 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 m -139.5 134.76 32.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.919 0.39 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -150.25 177.47 9.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.92 -88.9 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.45 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 10' ' ' GLU . 14.5 t -42.49 158.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.4 mm-40 -84.33 23.28 1.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.609 ' H ' HG23 ' A' ' 8' ' ' THR . 3.4 tp10 -69.2 -45.31 70.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.837 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.0 pm0 -69.06 -7.95 40.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.42 -46.54 6.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.8 tp -61.22 -60.77 3.23 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.0 mtp85 -46.82 -55.2 8.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 106' ' ' HIS . 91.0 t90 -52.76 -46.83 67.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.1 m -60.4 -46.84 88.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -46.64 -60.31 2.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -48.58 -41.44 30.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -71.15 -31.04 67.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -99.21 18.02 18.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.72 161.95 23.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.6 -63.73 3.83 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.517 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.466 ' CE2' ' HG3' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -38.8 121.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.651 0.739 . . . . 0.0 110.918 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 121.28 7.96 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.368 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.27 -37.29 3.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.459 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.776 HG21 ' HB2' ' A' ' 43' ' ' ALA . 40.2 t -59.37 101.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 111.081 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -109.31 93.65 4.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.496 HG13 ' NE1' ' A' ' 35' ' ' TRP . 21.3 t -99.6 74.55 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -91.3 -15.27 29.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.73 175.55 13.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.844 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.806 HD23 ' NE1' ' A' ' 35' ' ' TRP . 11.9 mt -117.4 52.17 0.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 30.2 p -130.14 -63.67 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 p -120.53 -15.98 8.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.5 m -61.57 -23.91 66.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.806 ' NE1' HD23 ' A' ' 31' ' ' LEU . 42.8 m95 -98.21 -13.82 20.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -57.49 -49.44 76.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ALA . 5.9 m-20 -35.95 -38.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.12 -43.61 1.67 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' CYS . 9.5 mt -52.39 -47.32 66.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.339 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.33 -66.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.712 ' O ' HG23 ' A' ' 45' ' ' VAL . 4.8 mt -55.29 -31.63 61.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.532 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 20.6 m -67.35 -44.55 78.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.776 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -64.2 -42.46 96.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.9 tp -62.8 -40.35 97.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 41' ' ' LEU . 84.2 t -69.74 -56.44 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.802 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 34.5 m-85 -51.03 -53.21 35.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -54.84 -62.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.003 HD22 ' CD2' ' A' ' 109' ' ' PHE . 34.6 mt -36.73 -43.38 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.783 ' HB3' HD12 ' A' ' 52' ' ' LEU . 7.4 tt0 -131.33 99.37 17.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.691 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -27.32 26.43 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.735 2.29 . . . . 0.0 112.333 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -58.37 -31.18 65.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.783 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.6 mt -67.83 159.09 31.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.514 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -53.69 172.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' N ' HD22 ' A' ' 53' ' ' LEU . 15.7 mt-10 -108.66 162.12 21.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 57' ' ' GLU . 54.7 Cg_endo -69.69 5.77 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.629 2.219 . . . . 0.0 112.392 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.466 ' C ' ' O ' ' A' ' 55' ' ' PRO . 70.1 m -33.37 -34.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 24.9 mp0 -91.23 -42.67 10.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.745 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.1 mp -53.42 -36.08 61.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 60' ' ' GLY . 22.1 pt20 -41.16 -45.05 2.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 59' ' ' GLN . . . -115.3 51.67 0.7 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.745 HD12 ' HA ' ' A' ' 58' ' ' LEU . 11.6 mt -111.96 -71.78 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 159.9 159.79 10.07 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.48 64.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD12 HG21 ' A' ' 90' ' ' VAL . 9.8 tp -81.33 -49.56 10.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.932 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 34.8 mm-40 -43.73 -37.94 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.532 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -63.06 -67.27 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.4 m -41.15 -40.41 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.194 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.52 -49.11 56.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.804 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 72.8 t90 -65.05 -58.67 5.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.6 -55.31 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.537 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 20.4 mt -60.98 -26.48 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' TRP . 16.3 ttmm -76.72 -70.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.804 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 27.8 t -47.98 -34.05 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -71.44 -39.21 71.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.082 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.441 ' CG ' ' HD3' ' A' ' 82' ' ' PRO . 11.2 tm-20 -80.24 -16.3 55.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -96.95 -59.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.607 ' HG3' HD21 ' A' ' 52' ' ' LEU . 19.2 mm-40 -77.62 -66.04 0.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.98 -23.08 67.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.69 19.25 69.07 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.483 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' THR . 27.9 mm -78.82 85.65 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ILE . 54.7 m -38.1 125.33 1.04 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.194 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' CG ' ' A' ' 75' ' ' GLU . 53.1 Cg_endo -69.86 106.26 1.65 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.786 HG13 HG23 ' A' ' 84' ' ' VAL . 3.3 p -78.12 -26.99 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.215 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.786 HG23 HG13 ' A' ' 83' ' ' VAL . 70.5 t -116.31 154.54 17.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 86' ' ' ALA . 8.8 m -86.88 126.04 34.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HB2' HD12 ' A' ' 71' ' ' LEU . . . -33.94 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.485 ' HA ' HD11 ' A' ' 64' ' ' LEU . 12.1 tp60 -63.3 -53.26 55.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.958 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -54.23 -43.08 70.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.068 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.6 t -51.01 -56.72 3.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.107 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 36' ' ' ALA . 54.3 t -68.18 -51.23 50.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.21 -14.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.97 11.77 4.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.525 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.5 p -63.72 -44.41 93.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -110.16 86.63 5.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.589 0.709 . . . . 0.0 110.846 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -30.04 22.91 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.621 2.214 . . . . 0.0 112.358 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.22 -52.22 49.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.571 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.79 -52.65 15.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.448 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.514 ' N ' HG21 ' A' ' 84' ' ' VAL . 57.0 tp -52.04 -57.81 8.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 73.0 mt -46.7 -50.65 5.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.4 -41.22 98.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.645 ' HB2' HG12 ' A' ' 83' ' ' VAL . 27.0 t80 -54.42 -53.69 50.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.419 ' CD2' ' CZ3' ' A' ' 35' ' ' TRP . 10.6 mt -54.42 -43.03 71.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.4 t -42.42 -34.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -63.98 -45.6 88.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -57.68 -55.81 30.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 15' ' ' TRP . 20.1 t-160 -64.24 -60.63 2.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 106' ' ' HIS . 34.9 t -34.56 -40.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.13 -48.21 9.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.185 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 1.003 ' CD2' HD22 ' A' ' 48' ' ' LEU . 19.8 m-85 -88.12 28.55 1.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 106' ' ' HIS . 19.2 mmtt -56.46 -35.53 68.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.8 m 50.59 51.93 15.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -131.12 171.6 20.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.432 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.08 25.23 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.712 2.274 . . . . 0.0 112.313 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -70.89 124.35 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -98.25 105.2 17.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -130.98 124.32 30.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.1 t -166.89 170.14 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.93 -104.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.7 m -91.46 120.47 32.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -83.16 -49.63 9.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.82 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.85 75.08 0.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.517 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 9' ' ' GLN . 2.0 t -163.47 176.94 9.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.742 0.306 . . . . 0.0 111.17 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 8' ' ' THR . 24.0 mp0 -61.15 -13.5 18.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -61.55 -34.41 75.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -79.12 -33.42 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 102' ' ' LEU . 51.1 tp -72.0 -57.98 3.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 28.4 tp -49.32 -61.22 2.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.8 mtp180 -53.99 -59.41 4.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.53 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 63.9 t90 -46.21 -40.41 11.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 69.5 m -67.56 -50.33 59.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.602 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 82.2 mt-30 -43.42 -40.48 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -64.89 -42.83 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -72.27 -58.6 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.3 p -58.86 -14.86 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.187 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -64.9 170.93 3.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.38 -56.53 4.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.494 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -42.49 127.97 2.94 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.74 0.781 . . . . 0.0 110.936 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.681 2.254 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.67 28.73 4.97 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.408 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.1 t -133.91 113.66 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.371 . . . . 0.0 111.135 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -131.29 86.31 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.919 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.548 HG13 ' NE1' ' A' ' 35' ' ' TRP . 83.6 t -79.17 118.1 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.168 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -125.73 -24.27 3.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.817 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 34' ' ' SER . 0.3 OUTLIER -158.88 143.42 15.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.646 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 mp -80.29 38.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.1 m -106.49 -56.86 2.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.8 p -131.58 -38.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.872 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' ' 30' ' ' ASP . 1.7 m -40.69 -27.39 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.936 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 31' ' ' LEU . 57.0 m95 -94.42 -31.08 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' SER . . . -42.07 -52.27 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -34.31 -36.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 36' ' ' ALA . . . 102.2 -32.09 7.95 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.431 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 40' ' ' ALA . 11.4 mt -60.12 -49.41 77.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.903 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.78 -63.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.716 ' O ' HG23 ' A' ' 45' ' ' VAL . 5.1 mt -55.5 -38.36 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' LEU . 33.9 m -57.64 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.35 -56.27 22.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.048 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.7 tp -47.67 -38.99 16.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.0 t -72.04 -56.41 10.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.795 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 39.2 m-85 -50.06 -51.54 41.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -56.28 -63.99 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.809 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 47' ' ' ARG . 21.2 mt -34.51 -37.11 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.515 ' OE1' HD23 ' A' ' 78' ' ' LEU . 26.8 mt-30 -134.27 94.3 18.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.993 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -3.98 13.04 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.3 -29.28 28.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.462 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.731 HD11 ' HG3' ' A' ' 77' ' ' GLU . 2.5 mt -67.77 157.62 34.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.73 0.3 . . . . 0.0 110.966 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.617 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.72 178.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.617 ' N ' HD22 ' A' ' 53' ' ' LEU . 25.5 mt-10 -114.28 159.83 35.07 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.705 0.764 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' LEU . 53.4 Cg_endo -69.72 7.72 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.407 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.486 ' C ' ' O ' ' A' ' 55' ' ' PRO . 19.5 m -31.58 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 55' ' ' PRO . 7.5 mm-40 -84.1 -45.76 12.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.835 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.9 mp -49.01 -36.09 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -37.66 -36.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 61' ' ' LEU . . . -95.58 -43.61 3.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 65' ' ' GLU . 69.9 mt -37.77 154.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.88 -175.21 47.88 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.485 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.56 -53.18 60.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 64' ' ' LEU . 8.0 tp -65.93 -51.56 57.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.574 ' HB3' HD22 ' A' ' 61' ' ' LEU . 70.8 mm-40 -46.44 -29.88 1.92 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.85 -69.8 0.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 16.2 m -40.97 -34.85 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -52.16 -52.81 49.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.83 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 85.2 t90 -57.66 -60.97 2.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.48 -53.63 2.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 82' ' ' PRO . 12.5 mt -59.11 -29.86 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' TRP . 6.5 ttpp -76.77 -70.05 0.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.937 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.83 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 37.9 t -48.96 -29.96 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.85 -37.8 47.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 14.2 tm-20 -80.92 -11.07 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -103.27 -64.21 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.731 ' HG3' HD11 ' A' ' 52' ' ' LEU . 11.5 mm-40 -72.86 -66.07 0.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 HD23 ' OE1' ' A' ' 49' ' ' GLN . 17.7 mt -61.68 -33.22 73.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 81.52 14.14 78.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.462 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.24 97.25 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 0.0 111.095 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.581 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.5 m -50.67 136.69 25.28 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.626 0.727 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 81' ' ' THR . 53.5 Cg_endo -69.76 94.55 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.661 2.241 . . . . 0.0 112.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.75 HG13 HG23 ' A' ' 84' ' ' VAL . 1.9 p -70.4 -26.68 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.75 HG23 HG13 ' A' ' 83' ' ' VAL . 82.1 t -117.84 147.42 21.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 86' ' ' ALA . 32.5 m -82.11 126.49 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -34.94 -35.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.09 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 85' ' ' SER . 24.4 tt0 -65.73 -51.92 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -57.16 -42.45 81.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.412 HG23 HG12 ' A' ' 84' ' ' VAL . 53.6 t -54.06 -59.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG21 HD12 ' A' ' 64' ' ' LEU . 72.9 t -59.25 -65.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -47.09 -19.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 58.66 23.55 55.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -71.08 -41.5 70.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -108.65 87.79 4.67 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-O 121.568 0.699 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 -27.09 26.39 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.638 2.225 . . . . 0.0 112.285 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.29 -48.2 73.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 84' ' ' VAL . . . -51.48 -62.16 5.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' N ' HG21 ' A' ' 84' ' ' VAL . 54.1 tp -41.28 -56.71 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.72 0.295 . . . . 0.0 110.929 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.71 -47.33 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.575 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -67.02 -44.09 81.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.594 ' HB2' HG12 ' A' ' 83' ' ' VAL . 13.2 t80 -52.88 -50.54 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.708 ' HB2' HD21 ' A' ' 12' ' ' LEU . 86.1 mt -61.84 -46.49 89.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.9 t -40.29 -35.99 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 7.5 m170 -63.06 -48.48 78.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.433 ' HE2' HG22 ' A' ' 45' ' ' VAL . 22.3 m-85 -52.47 -56.35 15.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.794 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.534 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.1 t-160 -59.76 -63.73 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 21.1 t -37.97 -32.12 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -89.59 -36.86 15.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.105 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 106' ' ' HIS . 76.7 m-85 -111.01 39.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.934 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 13.9 pttp -115.39 -17.42 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 12.9 t -113.08 140.35 47.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.818 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -138.77 -158.15 7.6 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.446 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 124.14 10.79 Favored 'Trans proline' 0 C--O 1.231 0.136 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.7 p -138.8 164.81 28.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.8 t -150.34 151.05 32.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.493 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -132.55 100.28 4.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.755 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.7 p -101.96 149.15 24.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.98 106.57 0.29 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 t -92.48 90.28 7.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.886 0.375 . . . . 0.0 110.782 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.0 p -95.77 77.86 3.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 37.5 52.48 1.82 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.433 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.493 HG22 ' H ' ' A' ' 10' ' ' GLU . 72.4 m -127.2 136.4 51.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.69 0.281 . . . . 0.0 111.218 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.02 -34.02 70.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.946 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.493 ' H ' HG22 ' A' ' 8' ' ' THR . 29.1 tt0 -47.03 -47.03 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.47 -33.22 75.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 102' ' ' LEU . 7.8 tp -68.62 -41.65 79.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 31' ' ' LEU . 6.4 tp -59.37 -46.35 88.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -55.23 -46.48 75.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.506 ' CD2' ' CD2' ' A' ' 106' ' ' HIS . 53.4 t90 -64.38 -48.7 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.6 m -59.13 -33.77 71.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -60.39 -39.1 86.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 12.9 mt-10 -75.52 -40.95 56.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.5 mm-40 -66.14 -57.9 6.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 43.4 p -60.54 -17.39 45.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 18' ' ' GLU . . . -59.03 155.52 13.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.25 -37.21 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.576 ' CE1' HD22 ' A' ' 39' ' ' LEU . 4.3 t80 -63.83 121.3 70.17 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.635 0.731 . . . . 0.0 110.934 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 99.37 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.725 2.283 . . . . 0.0 112.303 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.85 31.8 2.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.406 HG23 ' CD1' ' A' ' 23' ' ' TYR . 90.5 t -141.31 123.37 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 111.152 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -134.1 83.55 2.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.435 HG13 ' NE1' ' A' ' 35' ' ' TRP . 89.9 t -71.28 86.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.7 t -84.57 -29.54 25.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -161.91 174.65 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 35' ' ' TRP . 7.7 mp -100.49 37.32 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -105.38 -71.25 0.75 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -116.75 -25.58 7.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.868 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -48.94 -25.77 2.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.808 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.563 ' HB2' HD21 ' A' ' 98' ' ' LEU . 49.7 m95 -100.6 -18.65 16.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 90' ' ' VAL . . . -80.35 42.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -126.19 -34.38 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 119.22 -60.17 0.5 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.497 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD22 ' CE1' ' A' ' 23' ' ' TYR . 12.8 mt -52.34 -48.81 65.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.787 0.327 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -33.95 -68.11 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.074 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.9 mt -55.38 -38.64 69.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB1' ' A' ' 66' ' ' ALA . 38.3 m -57.74 -44.75 86.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.91 73.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.9 tp -53.42 -41.44 66.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.5 t -76.65 -62.96 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.8 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 24.8 m-85 -45.86 -52.76 10.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -57.65 11.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' A' ' 109' ' ' PHE . 11.9 mt -38.54 -37.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.431 ' HB3' HD12 ' A' ' 52' ' ' LEU . 12.9 tt0 -134.13 98.39 14.27 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.564 0.697 . . . . 0.0 110.912 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -2.78 10.75 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.01 -27.96 32.59 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.754 HD13 ' CG1' ' A' ' 73' ' ' VAL . 4.3 mt -73.42 152.13 40.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.571 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.86 169.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -105.67 157.61 34.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.639 0.733 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.81 5.38 1.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.745 2.297 . . . . 0.0 112.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.469 ' C ' ' O ' ' A' ' 55' ' ' PRO . 4.9 m -31.99 -36.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 55' ' ' PRO . 37.4 mp0 -86.08 -44.72 12.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.4 mp -48.65 -23.99 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -54.89 -43.48 73.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -112.36 44.1 1.58 Allowed Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 58' ' ' LEU . 10.7 mt -110.88 -62.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.88 170.71 18.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.526 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.18 -44.1 97.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD12 HG21 ' A' ' 90' ' ' VAL . 9.6 tp -82.56 -51.23 7.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 19.2 mm-40 -39.12 -36.18 0.29 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.633 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -67.25 -55.67 13.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 90.6 m -47.8 -44.53 28.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -48.09 -48.23 33.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.81 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 71.4 t90 -63.23 -59.36 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.38 -55.23 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD23 ' OH ' ' A' ' 101' ' ' TYR . 16.1 mt -59.19 -29.5 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 69' ' ' TRP . 10.9 ttmm -73.96 -69.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.95 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.81 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 41.3 t -49.79 -29.88 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -77.13 -41.62 41.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.096 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.6 tm-20 -77.81 -16.55 58.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.872 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.478 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 93.5 m-20 -94.97 -63.82 1.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.685 ' HG3' HD21 ' A' ' 52' ' ' LEU . 2.4 mm-40 -74.45 -69.37 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -58.74 -30.12 67.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.56 21.75 76.59 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 46.4 mm -84.15 91.33 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.391 . . . . 0.0 111.117 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.8 m -44.25 130.36 4.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.551 0.691 . . . . 0.0 111.149 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HB3' HD22 ' A' ' 71' ' ' LEU . 54.6 Cg_endo -69.72 98.02 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.667 2.245 . . . . 0.0 112.388 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.761 HG13 HG23 ' A' ' 84' ' ' VAL . 2.0 p -73.57 -32.61 36.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.761 HG23 HG13 ' A' ' 83' ' ' VAL . 72.4 t -112.12 148.54 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 86' ' ' ALA . 66.9 m -78.01 130.28 36.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.53 -45.24 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HA ' HD11 ' A' ' 64' ' ' LEU . 17.8 tt0 -61.54 -57.35 12.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -47.12 -41.83 18.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG23 HG12 ' A' ' 84' ' ' VAL . 87.4 t -57.37 -59.6 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.638 HG21 HD12 ' A' ' 64' ' ' LEU . 90.0 t -70.74 -61.1 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.51 -40.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 81.94 39.2 11.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.542 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.1 t -94.8 -41.71 9.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.962 0.41 . . . . 0.0 110.914 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -117.21 88.74 28.52 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.591 0.71 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -28.55 24.91 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.71 2.273 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.6 mp -64.95 -52.04 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.561 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -47.04 -50.91 14.73 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.416 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.563 HD21 ' HB2' ' A' ' 35' ' ' TRP . 41.7 tp -49.99 -57.31 7.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.2 mt -46.65 -49.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.65 -40.93 96.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.708 ' OH ' HD23 ' A' ' 71' ' ' LEU . 23.6 t80 -56.83 -60.0 4.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.493 HD12 ' CD2' ' A' ' 31' ' ' LEU . 54.4 mt -49.86 -45.0 50.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.6 t -41.85 -38.29 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -59.83 -47.17 86.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -55.32 -51.85 65.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.551 ' CD2' ' HB3' ' A' ' 110' ' ' LYS . 10.3 t-160 -67.11 -61.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 49.4 m -37.63 -28.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.769 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -100.16 -35.72 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.538 ' CD2' HD22 ' A' ' 48' ' ' LEU . 21.3 m-85 -109.46 43.95 1.24 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.551 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 11.1 pttp -113.73 165.54 12.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.1 m 45.25 40.77 5.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -89.96 -158.59 34.59 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -4.73 14.65 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.286 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.5 t -76.3 81.86 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 90.6 p -121.78 120.68 35.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.432 -0.267 . . . . 0.0 112.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.0 p -63.43 149.62 45.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.3 p -79.55 131.13 35.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.75 -39.91 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -47.09 -59.22 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.882 0.373 . . . . 0.0 110.844 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -82.43 97.87 8.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.82 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.72 -130.45 1.16 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.444 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.7 m -98.77 142.87 29.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.743 0.306 . . . . 0.0 111.079 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -45.59 -24.55 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' N ' ' A' ' 11' ' ' GLU . 17.8 pt-20 -45.3 -48.2 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' N ' ' CG ' ' A' ' 10' ' ' GLU . 0.7 OUTLIER -48.52 -36.96 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.959 HD21 ' HB2' ' A' ' 102' ' ' LEU . 18.2 tp -74.58 -38.09 62.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' HB2' HD11 ' A' ' 31' ' ' LEU . 3.7 tp -59.56 -45.68 91.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' A' ' 17' ' ' GLN . 2.0 mmp_? -56.31 -55.08 37.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.817 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.613 ' CG ' ' CD2' ' A' ' 106' ' ' HIS . 68.7 t90 -52.53 -46.49 66.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.941 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.9 m -62.47 -44.66 95.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 93.7 mt-30 -53.81 -37.27 63.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -70.85 -42.85 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -67.43 -58.89 3.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.534 ' HB ' HG11 ' A' ' 26' ' ' VAL . 36.7 p -57.8 -20.65 37.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.89 129.08 40.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 116.81 -44.39 1.46 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -59.37 124.85 77.12 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.705 0.764 . . . . 0.0 110.948 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.67 103.99 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.701 2.268 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 110.42 15.68 11.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 39' ' ' LEU . 47.3 t -122.28 111.76 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -129.1 89.09 2.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 98.0 t -77.46 96.91 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.7 m -96.3 -31.46 12.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -154.53 -176.19 5.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 13' ' ' LEU . 6.7 mp -113.06 51.69 0.82 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 t -133.65 -58.03 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.6 m -119.82 -35.26 3.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 m -43.58 -32.65 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.839 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.6 ' CE3' ' HB1' ' A' ' 40' ' ' ALA . 67.5 m95 -94.89 -32.36 13.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.856 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -37.75 -49.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.144 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 63' ' ' ALA . 41.7 m-20 -40.62 -44.66 2.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.35 -49.19 0.88 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.9 mt -44.3 -50.51 8.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.6 ' HB1' ' CE3' ' A' ' 35' ' ' TRP . . . -33.51 -64.97 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.748 ' O ' HG23 ' A' ' 45' ' ' VAL . 11.1 mt -56.97 -36.5 70.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.46 ' N ' ' O ' ' A' ' 39' ' ' LEU . 31.1 m -61.9 -60.39 3.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB2' HG21 ' A' ' 26' ' ' VAL . . . -47.97 -49.78 29.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.9 tp -53.66 -47.22 70.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 41' ' ' LEU . 87.4 t -59.92 -61.98 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.805 ' CE1' ' CH2' ' A' ' 69' ' ' TRP . 54.8 m-85 -47.32 -50.79 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -53.82 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.704 HD22 ' CD2' ' A' ' 109' ' ' PHE . 23.1 mt -39.41 -37.12 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.652 ' HB3' HD12 ' A' ' 52' ' ' LEU . 10.2 tt0 -134.92 95.93 14.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.644 0.735 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -4.57 14.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.75 2.3 . . . . 0.0 112.279 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -88.68 -27.79 23.44 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.2 mt -66.41 152.01 45.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.361 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.665 ' C ' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -43.6 161.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.543 ' N ' HD22 ' A' ' 53' ' ' LEU . 61.4 mt-10 -100.38 156.93 34.68 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.615 0.722 . . . . 0.0 110.936 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.56 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.71 8.42 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.43 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.467 ' C ' ' O ' ' A' ' 55' ' ' PRO . 10.9 m -32.76 -35.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.819 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 45.5 mm-40 -84.76 -44.68 13.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp -49.71 -27.11 4.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -45.17 -40.38 7.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.21 53.4 0.76 Allowed Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 65' ' ' GLU . 10.4 mt -110.71 -65.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.09 165.31 12.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 37' ' ' ASP . . . -55.52 -47.54 76.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.114 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 90' ' ' VAL . 8.9 tp -76.84 -54.39 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 61' ' ' LEU . 49.7 mm-40 -40.43 -40.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.913 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.422 ' HB1' ' SG ' ' A' ' 42' ' ' CYS . . . -60.85 -67.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.3 m -40.49 -37.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 65' ' ' GLU . . . -53.48 -54.08 42.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.825 ' CZ2' HG21 ' A' ' 73' ' ' VAL . 79.0 t90 -57.33 -61.33 2.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.996 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -37.92 -56.75 1.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.088 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 14.3 mt -56.84 -31.72 65.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 69' ' ' TRP . 11.8 ttmm -72.55 -70.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.825 HG21 ' CZ2' ' A' ' 69' ' ' TRP . 52.3 t -49.8 -26.97 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 80' ' ' ILE . . . -79.0 -28.51 43.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.077 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -89.82 -21.49 22.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.406 ' ND2' ' HG2' ' A' ' 72' ' ' LYS . 67.9 m-20 -90.84 -65.05 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.562 ' HG3' HD11 ' A' ' 52' ' ' LEU . 18.5 mm-40 -73.62 -68.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.78 -30.86 70.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' THR . . . 80.86 -4.58 69.34 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.516 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.605 HG21 ' CE1' ' A' ' 105' ' ' PHE . 29.1 mm -59.25 83.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.621 HG23 ' HD2' ' A' ' 82' ' ' PRO . 99.3 m -42.09 138.05 1.98 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.593 0.711 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 81' ' ' THR . 54.5 Cg_endo -69.72 105.35 1.46 Allowed 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.78 2.32 . . . . 0.0 112.367 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.752 HG13 HG23 ' A' ' 84' ' ' VAL . 1.7 p -82.55 -28.14 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.752 HG23 HG13 ' A' ' 83' ' ' VAL . 52.6 t -118.31 151.77 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' ALA . 67.7 m -82.16 126.54 32.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -35.27 -46.49 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.16 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -60.26 -48.87 79.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 85' ' ' SER . . . -52.5 -47.56 66.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.164 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.401 HG23 HG12 ' A' ' 84' ' ' VAL . 97.3 t -56.67 -58.84 4.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 36' ' ' ALA . 79.7 t -64.77 -63.7 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 90' ' ' VAL . . . -37.97 -43.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.22 43.05 5.41 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.7 t -102.95 -45.38 4.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.814 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.18 86.96 4.44 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.629 0.728 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.607 ' HG2' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.73 -38.67 7.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.764 2.31 . . . . 0.0 112.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.607 HD12 ' HG2' ' A' ' 95' ' ' PRO . 6.5 mp -62.26 -49.97 73.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.28 -51.69 9.02 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.476 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD21 ' HB2' ' A' ' 35' ' ' TRP . 64.9 tp -54.42 -53.36 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.807 0.337 . . . . 0.0 110.924 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.8 mt -50.68 -45.55 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -71.12 -26.24 62.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.111 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.565 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 23.7 t80 -69.6 -42.59 74.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.968 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.959 ' HB2' HD21 ' A' ' 12' ' ' LEU . 84.4 mt -66.14 -41.2 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.3 m -45.16 -36.21 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 9.2 m170 -63.41 -38.46 91.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.605 ' CE1' HG21 ' A' ' 80' ' ' ILE . 43.7 m-85 -66.38 -48.35 70.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.613 ' CD2' ' CG ' ' A' ' 15' ' ' TRP . 9.2 t-160 -69.62 -64.0 0.96 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 72.0 m -42.12 -26.27 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -96.58 -29.35 13.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.704 ' CD2' HD22 ' A' ' 48' ' ' LEU . 50.2 m-85 -121.77 43.03 2.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.482 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 10.1 pttp -112.66 21.74 15.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 69.3 m -47.57 124.58 7.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 136.04 171.88 12.46 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.75 -177.67 1.98 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.8 t -93.85 135.07 35.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 42.5 p -136.58 132.46 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.543 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 p -45.06 103.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.914 0.388 . . . . 0.0 110.796 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -105.95 -53.73 2.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.03 -44.0 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -100.49 135.72 41.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.878 0.37 . . . . 0.0 110.901 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -99.66 147.45 25.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.18 -122.4 1.99 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.2 t -52.39 175.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.728 0.299 . . . . 0.0 111.144 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -56.28 -19.66 15.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -48.46 -46.88 38.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -45.35 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.3 tp -68.8 -57.43 5.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.527 HD13 HD12 ' A' ' 31' ' ' LEU . 50.7 tp -42.53 -66.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 36.4 mtp85 -43.32 -52.79 5.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -54.67 -48.27 72.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -61.79 -39.89 93.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 84.6 mt-30 -59.07 -48.35 81.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.949 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -58.17 -43.08 87.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -69.17 -61.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.0 p -59.99 -25.35 65.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.645 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -48.05 -22.15 0.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -93.4 53.03 2.43 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.397 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -155.01 120.93 2.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.67 0.747 . . . . 0.0 110.948 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 108.33 2.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.636 2.224 . . . . 0.0 112.284 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.0 9.27 26.46 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 39' ' ' LEU . 93.3 t -118.41 117.99 56.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 111.143 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 14.0 p-80 -131.8 87.91 2.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.461 HG13 ' NE1' ' A' ' 35' ' ' TRP . 91.0 t -74.58 89.0 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.4 t -87.83 -32.53 18.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.799 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.75 158.72 38.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.602 HD23 HD12 ' A' ' 102' ' ' LEU . 6.3 mp -90.21 34.14 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.4 m -108.69 -64.8 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 36' ' ' ALA . 54.6 p -118.95 -28.46 5.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -47.41 -22.82 0.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.812 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.699 ' CZ3' HD21 ' A' ' 102' ' ' LEU . 44.7 m95 -101.69 -19.92 15.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -53.97 -32.3 53.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 19.0 p-10 -51.53 -53.41 38.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.847 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 125.78 -43.57 1.35 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.527 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' HB3' HG22 ' A' ' 26' ' ' VAL . 11.8 mt -55.19 -46.45 75.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.7 -65.58 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 45' ' ' VAL . 12.5 mt -53.83 -40.1 66.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.3 m -57.46 -56.84 16.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.25 -51.35 54.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 tp -53.94 -42.06 68.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 41' ' ' LEU . 85.3 t -69.41 -60.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.141 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.793 ' CE1' ' CZ2' ' A' ' 69' ' ' TRP . 42.2 m-85 -48.5 -47.39 38.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -58.99 -61.28 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CG ' ' A' ' 109' ' ' PHE . 16.0 mt -38.47 -41.02 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.693 ' HB3' HD12 ' A' ' 52' ' ' LEU . 8.5 tt0 -129.32 98.03 24.13 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.505 0.669 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' GLN . 53.4 Cg_endo -69.76 -13.84 35.24 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -74.31 -39.5 43.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.489 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.693 HD12 ' HB3' ' A' ' 49' ' ' GLN . 4.7 mt -56.71 155.86 7.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.94 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.658 HD22 ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -48.57 178.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.658 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.1 mp0 -112.55 156.46 42.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.676 0.75 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.76 7.97 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 55' ' ' PRO . 9.4 m -32.04 -36.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 9.7 mp0 -85.31 -44.37 12.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.74 ' HA ' HD12 ' A' ' 61' ' ' LEU . 9.9 mp -51.16 -33.66 27.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.455 ' CG ' ' O ' ' A' ' 56' ' ' SER . 1.4 pp0? -44.52 -36.99 3.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -113.93 42.68 1.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.528 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 58' ' ' LEU . 13.8 mt -117.87 162.02 18.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.19 153.03 51.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -44.59 -36.21 2.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 111.089 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.666 HD12 HG21 ' A' ' 90' ' ' VAL . 9.2 tp -80.92 -51.0 9.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -42.76 -35.64 1.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.21 -68.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.05 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.509 HG22 HD12 ' A' ' 71' ' ' LEU . 23.8 m -40.65 -38.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.19 -56.94 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.873 ' CE2' HG21 ' A' ' 73' ' ' VAL . 81.8 t90 -55.2 -59.97 4.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 41' ' ' LEU . . . -40.15 -60.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 82' ' ' PRO . 10.1 mt -55.52 -26.26 41.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' TRP . 26.3 tttt -78.8 -70.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.873 HG21 ' CE2' ' A' ' 69' ' ' TRP . 54.6 t -49.68 -32.19 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.74 -35.96 62.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.159 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' O ' ' CD ' ' A' ' 75' ' ' GLU . 11.4 tm-20 -84.27 -14.42 49.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.2 m-80 -98.01 -62.02 1.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.625 ' HG3' HD21 ' A' ' 52' ' ' LEU . 27.1 mm-40 -72.97 -70.15 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.31 -40.75 82.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.39 21.21 45.51 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.533 HG21 ' CE1' ' A' ' 105' ' ' PHE . 31.7 mm -87.27 91.42 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.907 0.384 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.5 m -43.81 132.28 4.02 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.54 0.686 . . . . 0.0 111.168 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 71' ' ' LEU . 53.9 Cg_endo -69.78 95.22 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.719 2.279 . . . . 0.0 112.295 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.855 HG13 HG23 ' A' ' 84' ' ' VAL . 2.4 p -69.63 -29.7 42.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.155 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.855 HG23 HG13 ' A' ' 83' ' ' VAL . 99.3 t -117.96 121.74 68.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.138 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 89' ' ' VAL . 1.0 OUTLIER -51.23 147.4 5.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -51.3 -40.49 59.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.438 ' HA ' HD11 ' A' ' 64' ' ' LEU . 5.5 tt0 -65.97 -56.77 9.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.473 ' HB1' ' OD1' ' A' ' 94' ' ' ASP . . . -45.43 -47.18 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.209 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.531 HG23 HG12 ' A' ' 84' ' ' VAL . 69.7 t -55.12 -57.24 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.084 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.666 HG21 HD12 ' A' ' 64' ' ' LEU . 69.2 t -67.85 -64.37 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -38.39 -44.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.059 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 92.08 36.31 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 23.1 t -93.87 -42.22 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.473 ' OD1' ' HB1' ' A' ' 88' ' ' ALA . 1.8 m-20 -106.45 87.32 2.6 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.682 0.754 . . . . 0.0 110.936 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 96' ' ' LEU . 55.1 Cg_endo -69.66 -49.93 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.69 2.26 . . . . 0.0 112.381 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 95' ' ' PRO . 4.5 mp -56.71 -47.7 79.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.522 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.11 -58.3 5.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.552 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -44.44 -55.21 5.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.799 0.333 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 85.2 mt -47.76 -51.18 8.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.425 ' O ' ' CD2' ' A' ' 104' ' ' HIS . . . -62.63 -44.95 95.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.629 ' HB2' HG12 ' A' ' 83' ' ' VAL . 19.8 t80 -51.24 -52.85 40.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.872 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.699 HD21 ' CZ3' ' A' ' 35' ' ' TRP . 50.2 mt -57.89 -51.1 71.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' LEU . 28.7 t -37.24 -40.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 100' ' ' ALA . 10.0 m170 -58.91 -43.99 91.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 80' ' ' ILE . 30.4 m-85 -59.36 -48.47 81.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' ALA . 10.6 t-160 -67.37 -62.79 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 106' ' ' HIS . 2.7 t -37.92 -27.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 106' ' ' HIS . . . -97.85 -37.71 9.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.08 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CG ' HD22 ' A' ' 48' ' ' LEU . 76.6 m-85 -110.64 48.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 106' ' ' HIS . 24.2 pttm -113.04 135.16 54.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t 66.59 42.24 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -85.91 170.36 43.51 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -27.23 26.74 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.706 2.271 . . . . 0.0 112.383 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.7 m -43.7 159.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.809 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 16.0 t -98.9 145.83 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.469 -179.899 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -113.88 157.61 22.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -93.71 -45.68 7.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.61 -177.45 21.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.8 p -139.27 170.29 16.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 t -85.35 158.8 20.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.08 -90.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.1 t -62.13 160.34 12.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.765 0.316 . . . . 0.0 111.133 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -89.35 23.44 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.49 -60.8 3.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -55.62 -18.08 7.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.0 tp -84.78 -60.02 2.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.2 tp -52.13 -51.32 58.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.952 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -57.81 -56.71 18.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.486 ' CH2' ' HA ' ' A' ' 106' ' ' HIS . 84.9 t90 -50.78 -40.28 54.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 83.9 m -69.73 -40.05 76.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 89.1 mt-30 -58.9 -41.25 86.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -65.9 -41.43 91.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.31 -52.67 30.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.8 p -66.58 -18.09 65.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 17' ' ' GLN . . . -57.21 135.09 56.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.52 -43.58 1.68 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.434 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.553 ' CZ ' HD22 ' A' ' 39' ' ' LEU . 1.4 t80 -59.47 124.8 77.18 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.679 0.752 . . . . 0.0 110.909 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.53 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.365 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.52 18.51 10.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG22 ' HB3' ' A' ' 39' ' ' LEU . 55.9 t -126.13 112.78 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -131.63 89.33 2.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.423 HG13 ' NE1' ' A' ' 35' ' ' TRP . 84.7 t -81.06 101.77 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' O ' ' CG ' ' A' ' 30' ' ' ASP . 73.8 p -108.51 -10.68 15.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.2 m-20 -162.42 177.04 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.2 mt -114.23 50.61 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.6 m -130.0 -68.04 0.72 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 t -115.1 -21.33 10.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 m -52.29 -30.0 25.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.423 ' NE1' HG13 ' A' ' 28' ' ' VAL . 50.2 m95 -98.9 -30.13 12.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.667 ' O ' HG22 ' A' ' 90' ' ' VAL . . . -40.72 -36.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -48.85 -45.35 40.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 115.46 -42.27 1.95 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.453 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD22 ' CZ ' ' A' ' 23' ' ' TYR . 12.8 mt -56.16 -46.99 79.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.844 0.354 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 39' ' ' LEU . . . -34.1 -66.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.11 -44.88 64.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' HD23 ' A' ' 58' ' ' LEU . 33.8 m -49.35 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.84 -47.77 31.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.409 HD21 ' CG ' ' A' ' 105' ' ' PHE . 20.9 tp -55.72 -45.59 77.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.1 t -69.24 -63.79 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.742 ' CZ ' ' CH2' ' A' ' 69' ' ' TRP . 61.4 m-85 -47.92 -42.63 27.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.1 tpt180 -67.59 -53.59 26.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 109' ' ' PHE . 13.1 mt -43.85 -43.75 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -131.95 101.85 15.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.549 0.69 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.5 37.57 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.34 -29.57 74.39 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.568 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD21 ' HG3' ' A' ' 77' ' ' GLU . 3.2 mt -72.11 153.2 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.928 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.568 ' N ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -47.85 176.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 179.897 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' N ' HD22 ' A' ' 53' ' ' LEU . 10.9 pt-20 -110.02 156.23 40.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.663 0.744 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.574 ' HD3' ' CD1' ' A' ' 46' ' ' TYR . 53.0 Cg_endo -69.78 9.36 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.74 2.294 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.472 ' C ' ' O ' ' A' ' 55' ' ' PRO . 69.7 p -31.81 -36.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . 5.1 mm-40 -82.61 -46.2 13.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 61' ' ' LEU . 10.3 mp -47.68 -22.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 38.6 mm-40 -55.67 -37.45 68.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -111.81 44.12 1.57 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.52 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.962 HD12 ' HA ' ' A' ' 58' ' ' LEU . 24.7 mt -121.83 166.96 13.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.31 156.23 46.63 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -46.87 -35.27 6.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.79 HD12 HG21 ' A' ' 90' ' ' VAL . 9.4 tp -82.13 -49.05 10.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -43.68 -36.55 2.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.87 -64.37 0.88 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.4 m -43.19 -40.67 3.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.29 -52.84 41.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.906 ' CE2' HG21 ' A' ' 73' ' ' VAL . 79.5 t90 -54.64 -61.9 2.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.6 -57.96 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD23 ' CZ ' ' A' ' 101' ' ' TYR . 17.1 mt -54.55 -33.92 60.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 69' ' ' TRP . 21.9 tttt -74.89 -64.83 0.96 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.906 HG21 ' CE2' ' A' ' 69' ' ' TRP . 38.3 t -55.64 -21.32 9.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.114 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -85.66 -33.06 21.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -87.18 -19.95 27.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.2 m-20 -90.49 -56.5 3.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.619 ' HG3' HD21 ' A' ' 52' ' ' LEU . 13.2 mm-40 -82.99 -73.45 0.4 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 13.9 mt -54.28 -31.18 53.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 83.49 4.27 89.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.547 HG21 ' CE1' ' A' ' 105' ' ' PHE . 46.9 mm -69.23 90.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.647 HG23 ' HD2' ' A' ' 82' ' ' PRO . 82.5 m -47.13 139.04 7.47 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.589 0.709 . . . . 0.0 111.133 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 81' ' ' THR . 52.7 Cg_endo -69.74 97.46 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.736 2.291 . . . . 0.0 112.281 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.803 HG13 HG23 ' A' ' 84' ' ' VAL . 1.8 p -75.74 -28.29 19.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.803 HG23 HG13 ' A' ' 83' ' ' VAL . 56.1 t -120.63 152.13 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' ALA . 18.8 m -80.44 126.96 31.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' SER . . . -36.27 -43.84 0.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.693 ' NE2' ' HB2' ' A' ' 91' ' ' ALA . 21.5 tm0? -64.0 -50.18 69.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.09 -40.9 61.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG23 HG12 ' A' ' 84' ' ' VAL . 95.9 t -61.91 -53.51 47.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.79 HG21 HD12 ' A' ' 64' ' ' LEU . 94.5 t -69.97 -63.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.096 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.693 ' HB2' ' NE2' ' A' ' 87' ' ' GLN . . . -39.85 -42.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.06 43.21 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.3 t -99.3 -43.17 6.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.357 . . . . 0.0 110.878 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -112.68 86.99 9.22 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.656 0.741 . . . . 0.0 110.886 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -28.24 25.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.733 2.289 . . . . 0.0 112.355 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.3 mp -68.52 -52.27 33.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.581 ' C ' HG21 ' A' ' 84' ' ' VAL . . . -45.13 -55.36 6.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.388 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.566 ' N ' HG21 ' A' ' 84' ' ' VAL . 42.2 tp -47.57 -52.63 17.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 78.2 mt -49.55 -52.43 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.87 -36.52 79.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.583 ' CZ ' HD23 ' A' ' 71' ' ' LEU . 13.6 t80 -57.16 -56.33 23.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 105' ' ' PHE . 8.9 mt -53.45 -49.0 68.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' LEU . 22.8 t -37.43 -42.39 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -59.66 -44.24 93.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.547 ' CE1' HG21 ' A' ' 80' ' ' ILE . 53.1 m-85 -58.9 -53.07 62.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.498 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 11.8 t-160 -64.32 -60.91 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 17.9 m -38.46 -34.26 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -89.33 -40.9 12.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 48' ' ' LEU . 64.4 m-85 -107.92 48.41 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.498 ' HA ' ' CD2' ' A' ' 106' ' ' HIS . 13.3 mttp -67.72 117.38 9.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.1 t -138.48 126.27 22.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 157.42 164.85 14.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 82.8 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.3 m -152.7 -177.69 6.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.2 t -170.52 134.87 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 179.999 . . . . . . . . 0 0 . 1 stop_ save_